REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3mog_1_A DATA FIRST_RESID 4 DATA SEQUENCE NVQTVAVIGS GTMGAGIAEV AASHGHQVLL YDISAEALTR AIDGIHARLN DATA SEQUENCE SRVTRGKLTA ETCERTLKRL IPVTDIHALA AADLVIEAAS ERLEVKKALF DATA SEQUENCE AQLAEVCPPQ TLLTTNTSSI SITAIAAEIK NPERVAGLHF FNPAPVMKLV DATA SEQUENCE EVVSGLATAA EVVEQLCELT LSWGKQPVRC HSTPGFIVNR VARPYYSEAW DATA SEQUENCE RALEEQVAAP EVIDAALRDG AGFPMGPLEL TDLIGQDVNF AVTCSVFNAF DATA SEQUENCE WQERRFLPSL VQQELVIGGR LGKKSGLGVY DWRAEREAVV GLEAVSDSFS DATA SEQUENCE PMKVEKKSDG VTEIDDVLLI ETQGETAQAL AIRLARPVVV IDKMAGKVVT DATA SEQUENCE IAAAAVNPDS ATRKAIYYLQ QQGKTVLQIA DYPGMLIWRT VAMIINEALD DATA SEQUENCE ALQKGVASEQ DIDTAMRLGV NYPYGPLAWG AQLGWQRILR LLENLQHHYG DATA SEQUENCE EERYRPCSLL RQRALLESGY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.540 175.510 0.050 0.000 1.280 4 N CA 0.000 53.070 53.050 0.033 0.000 0.885 4 N CB 0.000 38.507 38.487 0.033 0.000 1.341 5 V N 2.787 122.753 119.914 0.087 0.000 2.448 5 V HA 0.423 4.543 4.120 -0.000 0.000 0.295 5 V C 0.265 176.506 176.094 0.246 0.000 1.025 5 V CA -0.276 62.098 62.300 0.123 0.000 0.859 5 V CB 2.023 33.887 31.823 0.069 0.000 0.988 5 V HN 0.604 nan 8.190 nan 0.000 0.431 6 Q N 1.675 121.604 119.800 0.215 0.000 2.563 6 Q HA 0.269 4.609 4.340 -0.000 0.000 0.186 6 Q C 0.643 176.826 176.000 0.305 0.000 0.805 6 Q CA 0.575 56.529 55.803 0.253 0.000 0.828 6 Q CB 0.182 28.993 28.738 0.122 0.000 1.157 6 Q HN 0.813 nan 8.270 nan 0.000 0.619 7 T N 0.960 115.615 114.554 0.167 0.000 2.884 7 T HA 0.462 4.812 4.350 -0.000 0.000 0.298 7 T C -0.580 174.187 174.700 0.112 0.000 0.998 7 T CA -0.259 61.919 62.100 0.131 0.000 1.124 7 T CB 0.994 69.907 68.868 0.076 0.000 0.931 7 T HN -0.046 nan 8.240 nan 0.000 0.531 8 V N 2.107 122.079 119.914 0.097 0.000 2.531 8 V HA 0.673 4.793 4.120 -0.000 0.000 0.301 8 V C -0.049 176.065 176.094 0.033 0.000 1.034 8 V CA -1.056 61.281 62.300 0.061 0.000 0.865 8 V CB 1.660 33.516 31.823 0.055 0.000 0.995 8 V HN 1.101 nan 8.190 nan 0.000 0.424 9 A N 5.103 127.930 122.820 0.011 0.000 2.260 9 A HA 0.795 5.114 4.320 -0.000 0.000 0.314 9 A C -0.647 176.929 177.584 -0.014 0.000 1.257 9 A CA -0.432 51.601 52.037 -0.008 0.000 0.871 9 A CB 1.008 19.981 19.000 -0.046 0.000 1.166 9 A HN 0.666 nan 8.150 nan 0.000 0.522 10 V N 4.387 124.299 119.914 -0.003 0.000 2.398 10 V HA 0.342 4.462 4.120 -0.000 0.000 0.286 10 V C -0.148 175.964 176.094 0.030 0.000 1.026 10 V CA -0.179 62.117 62.300 -0.008 0.000 0.868 10 V CB 1.268 33.070 31.823 -0.036 0.000 0.982 10 V HN 0.738 nan 8.190 nan 0.000 0.443 11 I N 4.575 125.159 120.570 0.023 0.000 2.328 11 I HA 0.774 4.944 4.170 -0.000 0.000 0.287 11 I C 0.611 176.782 176.117 0.091 0.000 1.012 11 I CA 0.034 61.387 61.300 0.089 0.000 1.195 11 I CB 1.323 39.320 38.000 -0.005 0.000 1.350 11 I HN 0.869 nan 8.210 nan 0.000 0.464 12 G N 3.481 112.344 108.800 0.106 0.000 2.435 12 G HA2 0.026 3.986 3.960 -0.000 0.000 0.603 12 G HA3 0.026 3.986 3.960 -0.000 0.000 0.603 12 G C -0.259 174.655 174.900 0.024 0.000 1.496 12 G CA -0.256 44.881 45.100 0.061 0.000 0.896 12 G HN 0.634 nan 8.290 nan 0.000 0.657 13 S N 0.040 115.745 115.700 0.009 0.000 2.749 13 S HA 0.607 5.077 4.470 -0.000 0.000 0.246 13 S C 1.198 175.793 174.600 -0.008 0.000 1.023 13 S CA 0.763 58.958 58.200 -0.008 0.000 1.012 13 S CB 0.783 63.969 63.200 -0.023 0.000 0.942 13 S HN 1.762 nan 8.310 nan 0.000 0.531 14 G N 1.716 110.515 108.800 -0.002 0.000 2.509 14 G HA2 0.385 4.345 3.960 -0.000 0.000 0.269 14 G HA3 0.385 4.345 3.960 -0.000 0.000 0.269 14 G C 0.840 175.736 174.900 -0.006 0.000 1.416 14 G CA 0.168 45.267 45.100 -0.001 0.000 1.052 14 G HN 0.211 nan 8.290 nan 0.000 0.542 15 T N 0.770 115.324 114.554 -0.001 0.000 2.635 15 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 15 T C 2.534 177.226 174.700 -0.013 0.000 1.040 15 T CA 1.661 63.760 62.100 -0.002 0.000 1.156 15 T CB -0.210 68.664 68.868 0.009 0.000 0.863 15 T HN 0.148 nan 8.240 nan 0.000 0.430 16 M N 0.924 120.518 119.600 -0.010 0.000 2.200 16 M HA 0.125 4.605 4.480 -0.000 0.000 0.265 16 M C 2.817 179.072 176.300 -0.076 0.000 1.066 16 M CA 1.171 56.452 55.300 -0.033 0.000 1.127 16 M CB -1.900 30.698 32.600 -0.003 0.000 1.379 16 M HN 0.404 nan 8.290 nan 0.000 0.420 17 G N 0.335 109.107 108.800 -0.047 0.000 2.446 17 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 17 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 17 G C 1.687 176.544 174.900 -0.071 0.000 1.168 17 G CA 1.504 46.572 45.100 -0.053 0.000 0.771 17 G HN 0.527 nan 8.290 nan 0.000 0.551 18 A N 0.933 123.720 122.820 -0.054 0.000 1.865 18 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 18 A C 2.777 180.312 177.584 -0.081 0.000 1.191 18 A CA 2.319 54.324 52.037 -0.052 0.000 0.623 18 A CB -1.334 17.648 19.000 -0.030 0.000 0.826 18 A HN 0.630 nan 8.150 nan 0.000 0.444 19 G N 0.031 108.779 108.800 -0.086 0.000 2.491 19 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 19 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 19 G C 1.538 176.322 174.900 -0.193 0.000 1.180 19 G CA 1.289 46.327 45.100 -0.104 0.000 0.774 19 G HN 0.485 nan 8.290 nan 0.000 0.562 20 I N 1.463 121.854 120.570 -0.297 0.000 2.208 20 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 20 I C 3.292 179.194 176.117 -0.360 0.000 1.097 20 I CA 1.000 62.008 61.300 -0.487 0.000 1.363 20 I CB -0.222 37.417 38.000 -0.601 0.000 1.051 20 I HN 0.258 nan 8.210 nan 0.000 0.413 21 A N 0.268 122.951 122.820 -0.229 0.000 1.877 21 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 21 A C 2.328 179.808 177.584 -0.174 0.000 1.186 21 A CA 1.990 53.925 52.037 -0.171 0.000 0.620 21 A CB -0.731 18.210 19.000 -0.097 0.000 0.822 21 A HN 0.494 nan 8.150 nan 0.000 0.443 22 E N -0.204 119.909 120.200 -0.145 0.000 2.070 22 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 22 E C 1.904 178.416 176.600 -0.146 0.000 1.004 22 E CA 1.768 58.097 56.400 -0.120 0.000 0.805 22 E CB -0.178 29.471 29.700 -0.085 0.000 0.744 22 E HN 0.335 nan 8.360 nan 0.000 0.451 23 V N 1.068 120.857 119.914 -0.209 0.000 2.295 23 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 23 V C 2.457 178.251 176.094 -0.499 0.000 1.049 23 V CA 1.893 64.041 62.300 -0.253 0.000 1.024 23 V CB -0.818 30.837 31.823 -0.280 0.000 0.648 23 V HN 0.458 nan 8.190 nan 0.000 0.447 24 A N -0.073 122.306 122.820 -0.734 0.000 1.898 24 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 24 A C 2.428 179.883 177.584 -0.215 0.000 1.181 24 A CA 2.013 53.557 52.037 -0.821 0.000 0.620 24 A CB -0.824 17.797 19.000 -0.632 0.000 0.819 24 A HN 0.561 nan 8.150 nan 0.000 0.442 25 A N 0.396 123.128 122.820 -0.147 0.000 1.902 25 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 25 A C 2.491 180.040 177.584 -0.059 0.000 1.181 25 A CA 2.438 54.440 52.037 -0.059 0.000 0.623 25 A CB -1.002 17.957 19.000 -0.068 0.000 0.818 25 A HN 1.066 nan 8.150 nan 0.000 0.443 26 S N -1.175 114.473 115.700 -0.086 0.000 2.481 26 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 26 S C 1.195 175.657 174.600 -0.231 0.000 0.996 26 S CA 1.283 59.399 58.200 -0.139 0.000 0.942 26 S CB -0.593 62.517 63.200 -0.150 0.000 0.768 26 S HN 0.687 nan 8.310 nan 0.000 0.520 27 H N 0.742 119.757 119.070 -0.092 0.000 2.520 27 H HA 0.481 5.037 4.556 -0.000 0.000 0.284 27 H C 1.314 176.641 175.328 -0.001 0.000 1.037 27 H CA 0.061 56.114 56.048 0.009 0.000 1.168 27 H CB 0.382 30.191 29.762 0.078 0.000 1.497 27 H HN 0.524 nan 8.280 nan 0.000 0.547 28 G N 0.706 109.506 108.800 -0.000 0.000 2.141 28 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.195 28 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.195 28 G C -0.552 174.221 174.900 -0.211 0.000 1.012 28 G CA -0.610 44.424 45.100 -0.109 0.000 0.696 28 G HN 0.459 nan 8.290 nan 0.000 0.508 29 H N 0.459 119.564 119.070 0.058 0.000 2.469 29 H HA 0.376 4.932 4.556 0.000 0.000 0.342 29 H C 0.043 175.387 175.328 0.026 0.000 1.115 29 H CA -0.636 55.455 56.048 0.071 0.000 1.204 29 H CB 1.327 31.163 29.762 0.124 0.000 1.492 29 H HN 0.190 nan 8.280 nan 0.000 0.499 30 Q N 2.089 121.974 119.800 0.142 0.000 2.311 30 Q HA 0.134 4.474 4.340 -0.000 0.000 0.272 30 Q C -0.220 175.832 176.000 0.086 0.000 1.012 30 Q CA -0.032 55.823 55.803 0.085 0.000 0.891 30 Q CB 1.230 30.009 28.738 0.068 0.000 1.201 30 Q HN 0.314 nan 8.270 nan 0.000 0.391 31 V N 5.144 125.088 119.914 0.049 0.000 2.349 31 V HA 0.238 4.358 4.120 -0.000 0.000 0.284 31 V C 0.071 176.180 176.094 0.025 0.000 1.014 31 V CA -0.509 61.807 62.300 0.027 0.000 0.826 31 V CB 1.144 32.962 31.823 -0.007 0.000 1.009 31 V HN 0.605 nan 8.190 nan 0.000 0.431 32 L N 5.880 127.122 121.223 0.032 0.000 2.401 32 L HA 0.319 4.659 4.340 -0.000 0.000 0.283 32 L C -0.129 176.771 176.870 0.050 0.000 1.151 32 L CA -0.291 54.574 54.840 0.042 0.000 0.942 32 L CB 0.615 42.701 42.059 0.045 0.000 1.283 32 L HN 0.467 nan 8.230 nan 0.000 0.442 33 L N 4.568 125.816 121.223 0.041 0.000 2.315 33 L HA 0.205 4.545 4.340 -0.000 0.000 0.283 33 L C -0.589 176.328 176.870 0.077 0.000 1.089 33 L CA 0.234 55.099 54.840 0.043 0.000 0.833 33 L CB 0.247 42.312 42.059 0.010 0.000 1.170 33 L HN 0.299 nan 8.230 nan 0.000 0.442 34 Y N 4.631 124.915 120.300 -0.028 0.000 2.342 34 Y HA 0.585 5.135 4.550 -0.000 0.000 0.334 34 Y C -0.576 175.311 175.900 -0.022 0.000 1.067 34 Y CA -0.233 57.851 58.100 -0.026 0.000 1.128 34 Y CB 1.259 39.697 38.460 -0.037 0.000 1.200 34 Y HN 0.759 nan 8.280 nan 0.000 0.464 35 D N 3.083 123.125 120.400 -0.597 0.000 2.609 35 D HA 0.209 4.849 4.640 -0.000 0.000 0.239 35 D C 0.237 176.069 176.300 -0.781 0.000 1.229 35 D CA -0.446 53.249 54.000 -0.508 0.000 0.808 35 D CB 1.321 41.997 40.800 -0.206 0.000 1.448 35 D HN 0.439 nan 8.370 nan 0.000 0.433 36 I N -0.285 120.008 120.570 -0.462 0.000 2.353 36 I HA 0.096 4.266 4.170 -0.000 0.000 0.248 36 I C 1.235 177.241 176.117 -0.185 0.000 1.119 36 I CA 0.351 61.482 61.300 -0.282 0.000 1.417 36 I CB -0.774 37.176 38.000 -0.083 0.000 1.078 36 I HN 0.166 nan 8.210 nan 0.000 0.421 37 S N 0.616 116.228 115.700 -0.146 0.000 2.565 37 S HA 0.641 5.111 4.470 -0.000 0.000 0.274 37 S C 1.040 175.574 174.600 -0.109 0.000 1.309 37 S CA -0.151 57.989 58.200 -0.099 0.000 1.043 37 S CB 1.297 64.457 63.200 -0.067 0.000 0.939 37 S HN 0.405 nan 8.310 nan 0.000 0.504 38 A N 3.611 126.382 122.820 -0.082 0.000 2.115 38 A HA 0.257 4.577 4.320 -0.000 0.000 0.211 38 A C 1.779 179.329 177.584 -0.058 0.000 1.169 38 A CA 0.316 52.309 52.037 -0.073 0.000 0.787 38 A CB -0.412 18.551 19.000 -0.061 0.000 0.858 38 A HN 0.899 nan 8.150 nan 0.000 0.474 39 E N 0.146 120.317 120.200 -0.049 0.000 2.106 39 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 39 E C 2.171 178.747 176.600 -0.040 0.000 0.984 39 E CA 1.000 57.376 56.400 -0.040 0.000 0.806 39 E CB -0.160 29.520 29.700 -0.033 0.000 0.750 39 E HN 0.603 nan 8.360 nan 0.000 0.458 40 A N 0.747 123.540 122.820 -0.044 0.000 1.930 40 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 40 A C 2.107 179.665 177.584 -0.044 0.000 1.176 40 A CA 0.586 52.599 52.037 -0.040 0.000 0.632 40 A CB -0.416 18.560 19.000 -0.039 0.000 0.819 40 A HN 0.141 nan 8.150 nan 0.000 0.445 41 L N -0.292 120.897 121.223 -0.057 0.000 2.042 41 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 41 L C 2.756 179.599 176.870 -0.045 0.000 1.076 41 L CA 1.914 56.720 54.840 -0.056 0.000 0.749 41 L CB -0.712 41.302 42.059 -0.074 0.000 0.893 41 L HN 0.412 nan 8.230 nan 0.000 0.432 42 T N -1.152 113.373 114.554 -0.048 0.000 2.737 42 T HA -0.165 4.185 4.350 -0.000 0.000 0.265 42 T C 1.947 176.619 174.700 -0.045 0.000 1.038 42 T CA 1.010 63.079 62.100 -0.051 0.000 1.144 42 T CB -0.188 68.648 68.868 -0.053 0.000 0.866 42 T HN 0.285 nan 8.240 nan 0.000 0.434 43 R N 1.002 121.481 120.500 -0.036 0.000 2.152 43 R HA 0.115 4.455 4.340 -0.000 0.000 0.232 43 R C 2.707 178.996 176.300 -0.018 0.000 1.117 43 R CA 1.011 57.094 56.100 -0.027 0.000 0.981 43 R CB -0.349 29.938 30.300 -0.023 0.000 0.870 43 R HN 0.377 nan 8.270 nan 0.000 0.451 44 A N 0.932 123.741 122.820 -0.018 0.000 1.897 44 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 44 A C 2.072 179.659 177.584 0.005 0.000 1.181 44 A CA 0.930 52.961 52.037 -0.010 0.000 0.620 44 A CB -0.253 18.737 19.000 -0.016 0.000 0.821 44 A HN 0.158 nan 8.150 nan 0.000 0.443 45 I N -0.055 120.518 120.570 0.005 0.000 2.394 45 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 45 I C 1.608 177.764 176.117 0.064 0.000 1.136 45 I CA 1.165 62.492 61.300 0.045 0.000 1.425 45 I CB -0.248 37.760 38.000 0.014 0.000 1.079 45 I HN 0.229 nan 8.210 nan 0.000 0.425 46 D N 0.724 121.118 120.400 -0.010 0.000 2.144 46 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 46 D C 2.187 178.515 176.300 0.046 0.000 0.984 46 D CA 1.491 55.486 54.000 -0.009 0.000 0.834 46 D CB -0.514 40.267 40.800 -0.033 0.000 0.955 46 D HN 0.389 nan 8.370 nan 0.000 0.465 47 G N 0.449 109.268 108.800 0.033 0.000 2.408 47 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.217 47 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.217 47 G C 1.746 176.669 174.900 0.038 0.000 1.150 47 G CA 0.231 45.348 45.100 0.028 0.000 0.776 47 G HN 0.273 nan 8.290 nan 0.000 0.542 48 I N -0.307 120.294 120.570 0.052 0.000 2.252 48 I HA -0.125 4.044 4.170 -0.000 0.000 0.245 48 I C 2.490 178.623 176.117 0.026 0.000 1.102 48 I CA 0.845 62.163 61.300 0.031 0.000 1.385 48 I CB -0.411 37.603 38.000 0.024 0.000 1.064 48 I HN 0.185 nan 8.210 nan 0.000 0.414 49 H N 0.724 119.781 119.070 -0.022 0.000 2.387 49 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 49 H C 2.370 177.688 175.328 -0.016 0.000 1.090 49 H CA 1.480 57.517 56.048 -0.019 0.000 1.332 49 H CB 0.195 29.946 29.762 -0.018 0.000 1.386 49 H HN 0.370 nan 8.280 nan 0.000 0.516 50 A N 1.243 124.123 122.820 0.100 0.000 1.898 50 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 50 A C 2.464 180.059 177.584 0.019 0.000 1.181 50 A CA 1.081 53.146 52.037 0.047 0.000 0.620 50 A CB -0.281 18.740 19.000 0.034 0.000 0.819 50 A HN 0.296 nan 8.150 nan 0.000 0.442 51 R N -0.676 119.830 120.500 0.009 0.000 2.073 51 R HA 0.105 4.445 4.340 -0.000 0.000 0.229 51 R C 1.933 178.220 176.300 -0.021 0.000 1.120 51 R CA 1.141 57.238 56.100 -0.005 0.000 0.967 51 R CB -0.370 29.926 30.300 -0.007 0.000 0.862 51 R HN 0.455 nan 8.270 nan 0.000 0.436 52 L N 0.866 122.064 121.223 -0.042 0.000 2.313 52 L HA -0.064 4.276 4.340 -0.000 0.000 0.214 52 L C 1.477 178.313 176.870 -0.057 0.000 1.119 52 L CA 0.715 55.516 54.840 -0.064 0.000 0.809 52 L CB -0.308 41.685 42.059 -0.110 0.000 0.933 52 L HN 0.232 nan 8.230 nan 0.000 0.449 53 N N -0.391 118.284 118.700 -0.041 0.000 2.416 53 N HA -0.086 4.654 4.740 -0.000 0.000 0.177 53 N C 1.959 177.462 175.510 -0.012 0.000 1.036 53 N CA 1.223 54.259 53.050 -0.024 0.000 0.901 53 N CB 0.195 38.681 38.487 -0.002 0.000 0.976 53 N HN 0.264 nan 8.380 nan 0.000 0.444 54 S N 0.228 115.923 115.700 -0.009 0.000 2.561 54 S HA 0.121 4.591 4.470 -0.000 0.000 0.225 54 S C 1.522 176.116 174.600 -0.009 0.000 0.977 54 S CA 0.180 58.377 58.200 -0.005 0.000 0.926 54 S CB 0.158 63.358 63.200 -0.001 0.000 0.769 54 S HN 0.183 nan 8.310 nan 0.000 0.533 55 R N -0.347 120.143 120.500 -0.016 0.000 2.335 55 R HA 0.314 4.654 4.340 -0.000 0.000 0.210 55 R C 1.791 178.079 176.300 -0.020 0.000 0.892 55 R CA 0.437 56.527 56.100 -0.017 0.000 1.048 55 R CB 0.054 30.341 30.300 -0.021 0.000 1.067 55 R HN 0.386 nan 8.270 nan 0.000 0.524 56 V N 1.423 121.323 119.914 -0.022 0.000 2.649 56 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 56 V C 2.197 178.282 176.094 -0.014 0.000 1.054 56 V CA 2.348 64.635 62.300 -0.022 0.000 1.073 56 V CB 0.158 31.965 31.823 -0.026 0.000 0.699 56 V HN 0.419 nan 8.190 nan 0.000 0.463 57 T N -2.344 112.204 114.554 -0.011 0.000 2.985 57 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 57 T C 1.841 176.537 174.700 -0.006 0.000 1.076 57 T CA 0.818 62.914 62.100 -0.007 0.000 1.135 57 T CB -0.393 68.473 68.868 -0.004 0.000 0.890 57 T HN 0.449 nan 8.240 nan 0.000 0.480 58 R N 0.888 121.384 120.500 -0.007 0.000 2.334 58 R HA 0.319 4.659 4.340 -0.000 0.000 0.220 58 R C 1.550 177.846 176.300 -0.007 0.000 0.917 58 R CA 0.327 56.424 56.100 -0.006 0.000 1.073 58 R CB -0.096 30.201 30.300 -0.004 0.000 1.056 58 R HN 0.593 nan 8.270 nan 0.000 0.506 59 G N 1.669 110.463 108.800 -0.009 0.000 2.198 59 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 59 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 59 G C 0.818 175.711 174.900 -0.011 0.000 1.025 59 G CA 0.309 45.403 45.100 -0.010 0.000 0.769 59 G HN 0.215 nan 8.290 nan 0.000 0.507 60 K N -1.528 118.865 120.400 -0.013 0.000 2.352 60 K HA 0.405 4.725 4.320 -0.000 0.000 0.194 60 K C 0.515 177.103 176.600 -0.020 0.000 1.038 60 K CA 0.234 56.513 56.287 -0.014 0.000 1.023 60 K CB 0.553 33.047 32.500 -0.011 0.000 0.840 60 K HN 0.480 nan 8.250 nan 0.000 0.519 61 L N 0.211 121.419 121.223 -0.024 0.000 2.465 61 L HA 0.232 4.572 4.340 -0.000 0.000 0.257 61 L C -0.682 176.169 176.870 -0.031 0.000 0.988 61 L CA -0.424 54.397 54.840 -0.032 0.000 0.827 61 L CB 2.119 44.153 42.059 -0.042 0.000 1.397 61 L HN 0.059 nan 8.230 nan 0.000 0.410 62 T N 0.424 114.958 114.554 -0.033 0.000 2.913 62 T HA 0.595 4.945 4.350 -0.000 0.000 0.287 62 T C 1.102 175.782 174.700 -0.034 0.000 1.008 62 T CA -0.039 62.044 62.100 -0.030 0.000 1.067 62 T CB 1.445 70.296 68.868 -0.027 0.000 0.996 62 T HN 0.797 nan 8.240 nan 0.000 0.513 63 A N 0.637 123.440 122.820 -0.028 0.000 1.902 63 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 63 A C 2.262 179.827 177.584 -0.032 0.000 1.181 63 A CA 1.752 53.771 52.037 -0.029 0.000 0.623 63 A CB -1.049 17.939 19.000 -0.020 0.000 0.818 63 A HN 1.036 nan 8.150 nan 0.000 0.443 64 E N -0.785 119.398 120.200 -0.029 0.000 2.110 64 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 64 E C 1.850 178.428 176.600 -0.037 0.000 0.988 64 E CA 1.680 58.063 56.400 -0.029 0.000 0.804 64 E CB -0.070 29.615 29.700 -0.024 0.000 0.745 64 E HN 0.589 nan 8.360 nan 0.000 0.458 65 T N 0.077 114.605 114.554 -0.044 0.000 2.851 65 T HA -0.132 4.218 4.350 -0.000 0.000 0.262 65 T C 1.984 176.644 174.700 -0.068 0.000 1.043 65 T CA 0.889 62.956 62.100 -0.055 0.000 1.140 65 T CB -0.502 68.330 68.868 -0.059 0.000 0.872 65 T HN 0.344 nan 8.240 nan 0.000 0.446 66 C N 2.223 121.481 119.300 -0.069 0.000 2.413 66 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 66 C C 2.806 177.734 174.990 -0.102 0.000 1.228 66 C CA 1.373 60.337 59.018 -0.089 0.000 1.731 66 C CB -0.934 26.756 27.740 -0.082 0.000 2.042 66 C HN 0.594 nan 8.230 nan 0.000 0.468 67 E N 0.729 120.884 120.200 -0.074 0.000 2.110 67 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 67 E C 2.396 178.965 176.600 -0.052 0.000 0.988 67 E CA 1.377 57.741 56.400 -0.060 0.000 0.804 67 E CB -0.616 29.065 29.700 -0.032 0.000 0.745 67 E HN 0.719 nan 8.360 nan 0.000 0.458 68 R N -0.199 120.271 120.500 -0.049 0.000 2.096 68 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 68 R C 2.299 178.568 176.300 -0.051 0.000 1.127 68 R CA 1.974 58.048 56.100 -0.043 0.000 0.968 68 R CB -0.223 30.051 30.300 -0.043 0.000 0.861 68 R HN 0.141 nan 8.270 nan 0.000 0.440 69 T N 1.002 115.513 114.554 -0.071 0.000 2.770 69 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 69 T C 1.656 176.309 174.700 -0.078 0.000 1.039 69 T CA 1.148 63.200 62.100 -0.080 0.000 1.142 69 T CB -0.055 68.753 68.868 -0.101 0.000 0.868 69 T HN 0.173 nan 8.240 nan 0.000 0.435 70 L N 0.497 121.653 121.223 -0.112 0.000 2.362 70 L HA 0.006 4.346 4.340 -0.000 0.000 0.219 70 L C 2.600 179.466 176.870 -0.006 0.000 1.134 70 L CA 0.965 55.729 54.840 -0.127 0.000 0.807 70 L CB -0.367 41.472 42.059 -0.366 0.000 0.927 70 L HN 0.180 nan 8.230 nan 0.000 0.447 71 K N 0.243 120.639 120.400 -0.007 0.000 2.097 71 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 71 K C 2.037 178.646 176.600 0.016 0.000 1.050 71 K CA 0.906 57.203 56.287 0.017 0.000 0.938 71 K CB 0.044 32.548 32.500 0.006 0.000 0.718 71 K HN 0.291 nan 8.250 nan 0.000 0.442 72 R N 0.573 121.074 120.500 0.002 0.000 2.328 72 R HA 0.017 4.357 4.340 -0.000 0.000 0.207 72 R C 0.291 176.600 176.300 0.014 0.000 1.056 72 R CA 0.322 56.427 56.100 0.008 0.000 1.016 72 R CB -0.125 30.176 30.300 0.002 0.000 0.872 72 R HN 0.094 nan 8.270 nan 0.000 0.471 73 L N 2.268 123.501 121.223 0.018 0.000 2.312 73 L HA 0.259 4.599 4.340 -0.000 0.000 0.287 73 L C -0.295 176.592 176.870 0.029 0.000 1.091 73 L CA -0.151 54.703 54.840 0.023 0.000 0.846 73 L CB 0.605 42.686 42.059 0.036 0.000 1.219 73 L HN -0.010 nan 8.230 nan 0.000 0.439 74 I N 6.043 126.627 120.570 0.023 0.000 2.330 74 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 74 I C -2.032 174.096 176.117 0.019 0.000 1.025 74 I CA -1.932 59.381 61.300 0.022 0.000 1.197 74 I CB 1.236 39.252 38.000 0.026 0.000 1.358 74 I HN 0.319 nan 8.210 nan 0.000 0.467 75 P HA 0.200 nan 4.420 nan 0.000 0.281 75 P C -0.759 176.539 177.300 -0.003 0.000 1.252 75 P CA -0.135 62.963 63.100 -0.004 0.000 0.778 75 P CB 1.368 33.055 31.700 -0.022 0.000 0.895 76 V N 0.033 119.947 119.914 -0.001 0.000 2.925 76 V HA 0.578 4.698 4.120 -0.000 0.000 0.311 76 V C 0.464 176.517 176.094 -0.068 0.000 1.104 76 V CA -0.487 61.823 62.300 0.016 0.000 0.954 76 V CB 1.614 33.494 31.823 0.095 0.000 1.022 76 V HN 0.398 nan 8.190 nan 0.000 0.427 77 T N 0.171 114.687 114.554 -0.062 0.000 2.955 77 T HA 0.209 4.559 4.350 -0.000 0.000 0.251 77 T C 0.174 174.896 174.700 0.037 0.000 1.002 77 T CA 0.402 62.398 62.100 -0.172 0.000 0.970 77 T CB 0.048 68.841 68.868 -0.125 0.000 1.091 77 T HN 0.798 nan 8.240 nan 0.000 0.495 78 D N 1.565 122.054 120.400 0.149 0.000 2.312 78 D HA 0.211 4.851 4.640 -0.000 0.000 0.252 78 D C 1.169 177.658 176.300 0.315 0.000 1.150 78 D CA -0.364 53.778 54.000 0.236 0.000 0.870 78 D CB 1.331 42.232 40.800 0.168 0.000 1.153 78 D HN 0.214 nan 8.370 nan 0.000 0.457 79 I N 2.452 123.187 120.570 0.275 0.000 2.676 79 I HA -0.186 3.984 4.170 -0.000 0.000 0.259 79 I C 1.095 177.120 176.117 -0.153 0.000 1.194 79 I CA 1.316 62.575 61.300 -0.068 0.000 1.473 79 I CB -0.027 37.814 38.000 -0.265 0.000 1.096 79 I HN 0.324 nan 8.210 nan 0.000 0.443 80 H N 1.180 120.255 119.070 0.008 0.000 2.495 80 H HA 0.215 4.771 4.556 -0.000 0.000 0.287 80 H C 2.309 177.638 175.328 0.002 0.000 1.033 80 H CA 1.025 57.070 56.048 -0.004 0.000 1.307 80 H CB -0.222 29.543 29.762 0.005 0.000 1.401 80 H HN 0.499 nan 8.280 nan 0.000 0.555 81 A N 0.740 123.634 122.820 0.123 0.000 2.125 81 A HA -0.069 4.250 4.320 -0.000 0.000 0.219 81 A C 1.756 179.364 177.584 0.039 0.000 1.156 81 A CA 0.880 52.966 52.037 0.081 0.000 0.671 81 A CB -0.560 18.497 19.000 0.094 0.000 0.794 81 A HN 0.391 nan 8.150 nan 0.000 0.459 82 L N -1.000 120.220 121.223 -0.005 0.000 2.612 82 L HA 0.093 4.433 4.340 -0.000 0.000 0.230 82 L C 2.493 179.334 176.870 -0.048 0.000 1.140 82 L CA 0.313 55.126 54.840 -0.046 0.000 0.896 82 L CB -0.365 41.617 42.059 -0.128 0.000 1.065 82 L HN 0.367 nan 8.230 nan 0.000 0.447 83 A N 0.698 123.504 122.820 -0.023 0.000 2.019 83 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 83 A C 2.514 180.094 177.584 -0.006 0.000 1.164 83 A CA 1.576 53.604 52.037 -0.016 0.000 0.644 83 A CB -0.270 18.737 19.000 0.012 0.000 0.805 83 A HN 0.404 nan 8.150 nan 0.000 0.449 84 A N -0.321 122.502 122.820 0.005 0.000 2.119 84 A HA 0.500 4.820 4.320 -0.000 0.000 0.216 84 A C 1.456 179.048 177.584 0.014 0.000 1.152 84 A CA 0.737 52.783 52.037 0.014 0.000 0.708 84 A CB -0.838 18.175 19.000 0.023 0.000 0.805 84 A HN 1.055 nan 8.150 nan 0.000 0.460 85 A N 0.540 123.362 122.820 0.003 0.000 2.548 85 A HA 0.216 4.536 4.320 -0.000 0.000 0.247 85 A C 0.654 178.242 177.584 0.007 0.000 1.067 85 A CA 0.186 52.227 52.037 0.006 0.000 0.757 85 A CB 0.095 19.085 19.000 -0.017 0.000 0.996 85 A HN 0.414 nan 8.150 nan 0.000 0.504 86 D N 0.403 120.819 120.400 0.026 0.000 2.234 86 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 86 D C 0.105 176.411 176.300 0.009 0.000 0.962 86 D CA 1.234 55.248 54.000 0.023 0.000 0.855 86 D CB 0.173 41.001 40.800 0.046 0.000 0.951 86 D HN 0.445 nan 8.370 nan 0.000 0.500 87 L N 0.305 121.534 121.223 0.010 0.000 2.493 87 L HA 0.323 4.663 4.340 -0.000 0.000 0.265 87 L C -1.555 175.314 176.870 -0.003 0.000 0.954 87 L CA -0.650 54.193 54.840 0.004 0.000 0.844 87 L CB 2.401 44.468 42.059 0.013 0.000 1.302 87 L HN -0.370 nan 8.230 nan 0.000 0.405 88 V N 6.092 125.989 119.914 -0.028 0.000 2.417 88 V HA 0.541 4.661 4.120 -0.000 0.000 0.291 88 V C -0.100 175.985 176.094 -0.016 0.000 1.024 88 V CA -0.307 61.956 62.300 -0.062 0.000 0.861 88 V CB 1.534 33.254 31.823 -0.171 0.000 0.985 88 V HN 0.632 nan 8.190 nan 0.000 0.436 89 I N 4.139 124.714 120.570 0.009 0.000 2.382 89 I HA 0.414 4.584 4.170 -0.000 0.000 0.286 89 I C 0.036 176.177 176.117 0.039 0.000 1.002 89 I CA -0.264 61.075 61.300 0.064 0.000 1.135 89 I CB 1.508 39.559 38.000 0.085 0.000 1.288 89 I HN 0.582 nan 8.210 nan 0.000 0.448 90 E N 6.160 126.419 120.200 0.099 0.000 2.216 90 E HA 0.621 4.971 4.350 -0.000 0.000 0.279 90 E C -0.865 175.811 176.600 0.125 0.000 0.997 90 E CA -0.511 55.954 56.400 0.109 0.000 0.817 90 E CB 1.969 31.805 29.700 0.226 0.000 1.096 90 E HN 0.708 nan 8.360 nan 0.000 0.393 91 A N 3.735 126.608 122.820 0.088 0.000 3.234 91 A HA 0.563 4.883 4.320 -0.000 0.000 0.247 91 A C -0.114 177.510 177.584 0.068 0.000 0.938 91 A CA 0.121 52.204 52.037 0.075 0.000 1.039 91 A CB 0.045 19.068 19.000 0.039 0.000 1.197 91 A HN 0.588 nan 8.150 nan 0.000 0.498 92 A N -0.082 122.790 122.820 0.086 0.000 3.179 92 A HA 0.810 5.130 4.320 -0.000 0.000 0.213 92 A C 0.875 178.496 177.584 0.061 0.000 1.752 92 A CA 0.041 52.124 52.037 0.077 0.000 0.857 92 A CB -0.271 18.787 19.000 0.096 0.000 1.798 92 A HN 0.881 nan 8.150 nan 0.000 0.606 93 S N -0.259 115.474 115.700 0.055 0.000 2.549 93 S HA 0.125 4.595 4.470 -0.000 0.000 0.283 93 S C 0.386 175.005 174.600 0.032 0.000 1.320 93 S CA -0.280 57.943 58.200 0.038 0.000 1.058 93 S CB 0.051 63.271 63.200 0.033 0.000 0.882 93 S HN 0.440 nan 8.310 nan 0.000 0.498 94 E N 3.445 123.655 120.200 0.017 0.000 2.365 94 E HA 0.044 4.394 4.350 -0.000 0.000 0.188 94 E C -0.064 176.529 176.600 -0.011 0.000 1.102 94 E CA 0.107 56.507 56.400 0.001 0.000 0.927 94 E CB 0.030 29.724 29.700 -0.010 0.000 1.073 94 E HN 0.502 nan 8.360 nan 0.000 0.467 95 R N 0.903 121.402 120.500 -0.001 0.000 2.340 95 R HA 0.110 4.450 4.340 -0.000 0.000 0.300 95 R C 1.424 177.717 176.300 -0.011 0.000 1.069 95 R CA -0.306 55.789 56.100 -0.007 0.000 0.984 95 R CB 0.895 31.196 30.300 0.001 0.000 1.003 95 R HN 0.032 nan 8.270 nan 0.000 0.459 96 L N 3.190 124.398 121.223 -0.025 0.000 2.191 96 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 96 L C 1.202 178.058 176.870 -0.023 0.000 1.103 96 L CA 1.930 56.748 54.840 -0.037 0.000 0.769 96 L CB -0.108 41.922 42.059 -0.048 0.000 0.908 96 L HN 0.591 nan 8.230 nan 0.000 0.438 97 E N -0.570 119.625 120.200 -0.009 0.000 2.046 97 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 97 E C 2.164 178.775 176.600 0.018 0.000 0.982 97 E CA 1.614 58.015 56.400 0.002 0.000 0.800 97 E CB -0.568 29.134 29.700 0.004 0.000 0.756 97 E HN 0.372 nan 8.360 nan 0.000 0.449 98 V N 1.521 121.450 119.914 0.025 0.000 2.407 98 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 98 V C 1.993 178.128 176.094 0.069 0.000 1.055 98 V CA 1.728 64.054 62.300 0.043 0.000 1.049 98 V CB -0.542 31.306 31.823 0.043 0.000 0.662 98 V HN 0.182 nan 8.190 nan 0.000 0.455 99 K N 0.333 120.772 120.400 0.065 0.000 2.057 99 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 99 K C 2.292 178.967 176.600 0.125 0.000 1.050 99 K CA 1.256 57.609 56.287 0.110 0.000 0.935 99 K CB -0.212 32.297 32.500 0.015 0.000 0.715 99 K HN 0.405 nan 8.250 nan 0.000 0.439 100 K N 0.503 120.924 120.400 0.036 0.000 2.097 100 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 100 K C 2.135 178.782 176.600 0.078 0.000 1.050 100 K CA 1.114 57.420 56.287 0.031 0.000 0.938 100 K CB -0.042 32.455 32.500 -0.005 0.000 0.718 100 K HN 0.113 nan 8.250 nan 0.000 0.442 101 A N 1.063 123.924 122.820 0.068 0.000 1.929 101 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 101 A C 2.012 179.631 177.584 0.059 0.000 1.176 101 A CA 0.942 53.012 52.037 0.054 0.000 0.628 101 A CB -0.356 18.668 19.000 0.039 0.000 0.816 101 A HN 0.248 nan 8.150 nan 0.000 0.444 102 L N -1.623 119.652 121.223 0.088 0.000 2.072 102 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 102 L C 2.055 178.926 176.870 0.001 0.000 1.079 102 L CA 1.807 56.666 54.840 0.032 0.000 0.752 102 L CB -0.787 41.299 42.059 0.045 0.000 0.906 102 L HN 0.336 nan 8.230 nan 0.000 0.436 103 F N -0.304 119.615 119.950 -0.052 0.000 2.325 103 F HA -0.056 4.471 4.527 0.000 0.000 0.299 103 F C 2.410 178.181 175.800 -0.048 0.000 1.090 103 F CA 0.945 58.914 58.000 -0.051 0.000 1.392 103 F CB -0.441 38.538 39.000 -0.035 0.000 1.053 103 F HN 0.225 nan 8.300 nan 0.000 0.521 104 A N -0.602 122.289 122.820 0.119 0.000 1.897 104 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 104 A C 2.077 179.659 177.584 -0.004 0.000 1.181 104 A CA 1.447 53.514 52.037 0.051 0.000 0.620 104 A CB -0.739 18.286 19.000 0.042 0.000 0.821 104 A HN 0.406 nan 8.150 nan 0.000 0.443 105 Q N -0.378 119.403 119.800 -0.031 0.000 2.050 105 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 105 Q C 1.992 177.914 176.000 -0.130 0.000 0.980 105 Q CA 1.442 57.197 55.803 -0.081 0.000 0.840 105 Q CB -0.228 28.448 28.738 -0.104 0.000 0.898 105 Q HN 0.675 nan 8.270 nan 0.000 0.424 106 L N -0.137 120.988 121.223 -0.164 0.000 2.083 106 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 106 L C 2.463 179.253 176.870 -0.134 0.000 1.083 106 L CA 0.978 55.694 54.840 -0.208 0.000 0.752 106 L CB -0.679 41.191 42.059 -0.316 0.000 0.899 106 L HN 0.309 nan 8.230 nan 0.000 0.433 107 A N -0.093 122.681 122.820 -0.078 0.000 1.972 107 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 107 A C 2.114 179.675 177.584 -0.038 0.000 1.169 107 A CA 1.530 53.542 52.037 -0.041 0.000 0.635 107 A CB -0.302 18.695 19.000 -0.005 0.000 0.810 107 A HN 0.463 nan 8.150 nan 0.000 0.446 108 E N -0.624 119.550 120.200 -0.044 0.000 2.112 108 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 108 E C 1.908 178.488 176.600 -0.034 0.000 0.979 108 E CA 0.978 57.361 56.400 -0.028 0.000 0.814 108 E CB -0.099 29.590 29.700 -0.018 0.000 0.762 108 E HN 0.395 nan 8.360 nan 0.000 0.460 109 V N 1.077 120.945 119.914 -0.077 0.000 2.379 109 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 109 V C 1.149 177.210 176.094 -0.055 0.000 1.044 109 V CA 0.734 62.984 62.300 -0.084 0.000 1.036 109 V CB -0.145 31.559 31.823 -0.198 0.000 0.664 109 V HN 0.303 nan 8.190 nan 0.000 0.453 110 C N 0.321 119.581 119.300 -0.067 0.000 2.364 110 C HA 0.509 4.969 4.460 -0.000 0.000 0.356 110 C C -2.058 172.915 174.990 -0.029 0.000 1.201 110 C CA -1.410 57.578 59.018 -0.050 0.000 2.227 110 C CB 0.497 28.195 27.740 -0.071 0.000 2.387 110 C HN 0.275 nan 8.230 nan 0.000 0.546 111 P HA 0.089 nan 4.420 nan 0.000 0.268 111 P C -1.735 175.559 177.300 -0.010 0.000 1.208 111 P CA -0.634 62.460 63.100 -0.009 0.000 0.777 111 P CB 0.018 31.715 31.700 -0.004 0.000 0.875 112 P HA -0.198 nan 4.420 nan 0.000 0.222 112 P C 0.914 178.214 177.300 -0.001 0.000 1.142 112 P CA 1.511 64.609 63.100 -0.002 0.000 0.788 112 P CB -0.056 31.644 31.700 0.000 0.000 0.767 113 Q N -1.711 118.088 119.800 -0.002 0.000 2.319 113 Q HA 0.079 4.419 4.340 -0.000 0.000 0.209 113 Q C 0.091 176.089 176.000 -0.004 0.000 0.884 113 Q CA 0.356 56.158 55.803 -0.002 0.000 0.938 113 Q CB -0.946 27.792 28.738 -0.000 0.000 1.098 113 Q HN 0.003 nan 8.270 nan 0.000 0.517 114 T N 3.513 118.062 114.554 -0.008 0.000 2.829 114 T HA 0.204 4.554 4.350 -0.000 0.000 0.293 114 T C 0.253 174.947 174.700 -0.011 0.000 0.970 114 T CA 0.020 62.112 62.100 -0.013 0.000 1.168 114 T CB 0.229 69.080 68.868 -0.027 0.000 0.911 114 T HN 0.221 nan 8.240 nan 0.000 0.535 115 L N 4.728 125.946 121.223 -0.009 0.000 2.360 115 L HA 0.325 4.665 4.340 -0.000 0.000 0.276 115 L C 0.065 176.938 176.870 0.006 0.000 1.121 115 L CA -0.278 54.563 54.840 0.001 0.000 0.845 115 L CB 0.165 42.219 42.059 -0.007 0.000 1.143 115 L HN 0.441 nan 8.230 nan 0.000 0.452 116 L N 4.304 125.551 121.223 0.041 0.000 2.316 116 L HA 0.462 4.802 4.340 -0.000 0.000 0.280 116 L C 0.246 177.254 176.870 0.230 0.000 1.006 116 L CA -0.244 54.638 54.840 0.070 0.000 0.836 116 L CB 1.630 43.731 42.059 0.070 0.000 1.221 116 L HN 0.674 nan 8.230 nan 0.000 0.418 117 T N -1.236 113.442 114.554 0.208 0.000 2.916 117 T HA 0.716 5.066 4.350 -0.000 0.000 0.292 117 T C -0.393 174.522 174.700 0.357 0.000 1.064 117 T CA -0.727 61.519 62.100 0.244 0.000 1.011 117 T CB 2.417 71.369 68.868 0.141 0.000 1.152 117 T HN 0.366 nan 8.240 nan 0.000 0.510 118 T N -0.123 114.590 114.554 0.264 0.000 2.903 118 T HA 0.447 4.797 4.350 -0.000 0.000 0.299 118 T C -0.093 174.715 174.700 0.181 0.000 1.093 118 T CA -0.673 61.575 62.100 0.247 0.000 1.002 118 T CB 1.752 70.703 68.868 0.139 0.000 1.127 118 T HN 0.743 nan 8.240 nan 0.000 0.488 119 N N 1.753 120.566 118.700 0.188 0.000 2.235 119 N HA 0.148 4.888 4.740 -0.000 0.000 0.209 119 N C 0.354 175.993 175.510 0.215 0.000 1.122 119 N CA -0.101 53.089 53.050 0.234 0.000 0.845 119 N CB 0.360 38.968 38.487 0.202 0.000 1.004 119 N HN 0.569 nan 8.380 nan 0.000 0.499 120 T N -1.014 113.616 114.554 0.127 0.000 2.940 120 T HA 0.058 4.408 4.350 -0.000 0.000 0.309 120 T C 0.924 175.632 174.700 0.012 0.000 1.056 120 T CA 0.207 62.345 62.100 0.063 0.000 1.137 120 T CB 0.581 69.461 68.868 0.021 0.000 0.976 120 T HN 0.212 nan 8.240 nan 0.000 0.547 121 S N 2.066 117.695 115.700 -0.118 0.000 2.503 121 S HA 0.091 4.561 4.470 -0.000 0.000 0.215 121 S C 1.456 175.747 174.600 -0.515 0.000 1.003 121 S CA 0.282 58.248 58.200 -0.389 0.000 0.910 121 S CB 0.421 63.487 63.200 -0.224 0.000 0.790 121 S HN 0.872 nan 8.310 nan 0.000 0.514 122 S N -0.248 115.273 115.700 -0.297 0.000 2.911 122 S HA 0.450 4.920 4.470 -0.000 0.000 0.261 122 S C -0.322 174.149 174.600 -0.217 0.000 1.021 122 S CA -0.432 57.587 58.200 -0.303 0.000 1.222 122 S CB 0.032 63.098 63.200 -0.224 0.000 1.171 122 S HN 0.142 nan 8.310 nan 0.000 0.669 123 I N 2.005 122.490 120.570 -0.142 0.000 2.465 123 I HA 0.471 4.641 4.170 -0.000 0.000 0.291 123 I C 0.197 176.272 176.117 -0.070 0.000 1.014 123 I CA -0.361 60.873 61.300 -0.110 0.000 1.093 123 I CB 2.053 39.996 38.000 -0.094 0.000 1.267 123 I HN 0.180 nan 8.210 nan 0.000 0.431 124 S N 5.464 121.113 115.700 -0.085 0.000 2.549 124 S HA 0.160 4.630 4.470 -0.000 0.000 0.286 124 S C 1.549 176.110 174.600 -0.065 0.000 1.314 124 S CA -0.383 57.785 58.200 -0.053 0.000 1.062 124 S CB 0.267 63.424 63.200 -0.072 0.000 0.865 124 S HN 0.437 nan 8.310 nan 0.000 0.498 125 I N 5.009 125.554 120.570 -0.041 0.000 2.394 125 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 125 I C 2.360 178.427 176.117 -0.085 0.000 1.136 125 I CA 1.256 62.506 61.300 -0.084 0.000 1.425 125 I CB -2.146 35.813 38.000 -0.068 0.000 1.079 125 I HN 0.628 nan 8.210 nan 0.000 0.425 126 T N 1.287 115.808 114.554 -0.055 0.000 2.867 126 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 126 T C 2.085 176.751 174.700 -0.056 0.000 1.057 126 T CA 1.232 63.304 62.100 -0.046 0.000 1.136 126 T CB -0.147 68.703 68.868 -0.030 0.000 0.874 126 T HN 0.430 nan 8.240 nan 0.000 0.466 127 A N 1.341 124.119 122.820 -0.070 0.000 1.872 127 A HA 0.055 4.375 4.320 -0.000 0.000 0.214 127 A C 2.247 179.774 177.584 -0.096 0.000 1.187 127 A CA 0.957 52.951 52.037 -0.072 0.000 0.614 127 A CB -0.697 18.258 19.000 -0.075 0.000 0.826 127 A HN 0.486 nan 8.150 nan 0.000 0.442 128 I N -0.000 120.478 120.570 -0.153 0.000 2.163 128 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 128 I C 2.714 178.732 176.117 -0.165 0.000 1.085 128 I CA 1.327 62.482 61.300 -0.243 0.000 1.347 128 I CB -0.254 37.470 38.000 -0.459 0.000 1.044 128 I HN 0.320 nan 8.210 nan 0.000 0.408 129 A N 0.448 123.197 122.820 -0.119 0.000 2.235 129 A HA 0.183 4.503 4.320 -0.000 0.000 0.208 129 A C 2.386 179.956 177.584 -0.024 0.000 1.172 129 A CA 1.022 53.030 52.037 -0.049 0.000 0.786 129 A CB -0.587 18.391 19.000 -0.035 0.000 0.804 129 A HN 0.413 nan 8.150 nan 0.000 0.479 130 A N 0.574 123.375 122.820 -0.032 0.000 1.849 130 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 130 A C 1.195 178.775 177.584 -0.007 0.000 1.202 130 A CA 1.695 53.720 52.037 -0.019 0.000 0.629 130 A CB -0.319 18.667 19.000 -0.023 0.000 0.834 130 A HN 0.457 nan 8.150 nan 0.000 0.447 131 E N -1.091 119.108 120.200 -0.002 0.000 3.012 131 E HA 0.529 4.879 4.350 -0.000 0.000 0.228 131 E C -1.349 175.261 176.600 0.018 0.000 1.184 131 E CA 0.032 56.436 56.400 0.007 0.000 1.407 131 E CB 0.456 30.160 29.700 0.006 0.000 1.438 131 E HN 0.388 nan 8.360 nan 0.000 0.435 132 I N 0.982 121.566 120.570 0.022 0.000 2.498 132 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 132 I C -0.048 176.086 176.117 0.028 0.000 1.032 132 I CA -0.777 60.545 61.300 0.038 0.000 1.073 132 I CB 1.523 39.566 38.000 0.072 0.000 1.251 132 I HN -0.039 nan 8.210 nan 0.000 0.426 133 K N 5.009 125.423 120.400 0.023 0.000 2.511 133 K HA -0.009 4.311 4.320 -0.000 0.000 0.280 133 K C -0.073 176.537 176.600 0.017 0.000 1.008 133 K CA 0.547 56.843 56.287 0.015 0.000 1.050 133 K CB -0.205 32.301 32.500 0.009 0.000 0.889 133 K HN 0.589 nan 8.250 nan 0.000 0.484 134 N N 2.454 121.161 118.700 0.012 0.000 2.614 134 N HA -0.146 4.594 4.740 -0.000 0.000 0.276 134 N C -2.181 173.339 175.510 0.017 0.000 1.119 134 N CA -0.008 53.049 53.050 0.012 0.000 0.742 134 N CB -0.227 38.266 38.487 0.009 0.000 0.900 134 N HN 0.491 nan 8.380 nan 0.000 0.549 135 P HA -0.161 nan 4.420 nan 0.000 0.233 135 P C 1.001 178.311 177.300 0.016 0.000 1.167 135 P CA 0.973 64.084 63.100 0.019 0.000 0.770 135 P CB 0.215 31.921 31.700 0.010 0.000 0.837 136 E N 1.855 122.061 120.200 0.011 0.000 2.338 136 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 136 E C 1.052 177.657 176.600 0.008 0.000 1.007 136 E CA 0.773 57.177 56.400 0.007 0.000 0.849 136 E CB -0.441 29.262 29.700 0.004 0.000 0.774 136 E HN 0.291 nan 8.360 nan 0.000 0.506 137 R N 0.520 121.028 120.500 0.014 0.000 2.388 137 R HA 0.280 4.620 4.340 -0.000 0.000 0.247 137 R C 0.073 176.394 176.300 0.035 0.000 0.931 137 R CA -0.201 55.909 56.100 0.016 0.000 1.082 137 R CB -0.299 30.008 30.300 0.012 0.000 1.135 137 R HN -0.095 nan 8.270 nan 0.000 0.525 138 V N 0.500 120.439 119.914 0.040 0.000 2.394 138 V HA 0.835 4.955 4.120 -0.000 0.000 0.282 138 V C 0.187 176.294 176.094 0.021 0.000 1.031 138 V CA -0.323 62.016 62.300 0.064 0.000 0.881 138 V CB 0.950 32.817 31.823 0.073 0.000 0.982 138 V HN 0.483 nan 8.190 nan 0.000 0.451 139 A N 3.531 126.367 122.820 0.025 0.000 2.567 139 A HA 0.960 5.280 4.320 -0.000 0.000 0.289 139 A C -0.116 177.452 177.584 -0.027 0.000 1.177 139 A CA -0.241 51.783 52.037 -0.022 0.000 0.694 139 A CB 1.574 20.553 19.000 -0.035 0.000 1.292 139 A HN 1.062 nan 8.150 nan 0.000 0.425 140 G N -0.835 107.911 108.800 -0.090 0.000 2.371 140 G HA2 0.571 4.531 3.960 -0.000 0.000 0.326 140 G HA3 0.571 4.531 3.960 -0.000 0.000 0.326 140 G C -1.551 173.299 174.900 -0.084 0.000 1.127 140 G CA -0.274 44.766 45.100 -0.101 0.000 0.885 140 G HN 0.700 nan 8.290 nan 0.000 0.477 141 L N 2.463 123.699 121.223 0.022 0.000 2.417 141 L HA 0.324 4.664 4.340 -0.000 0.000 0.259 141 L C -0.278 176.687 176.870 0.158 0.000 1.023 141 L CA -0.739 54.132 54.840 0.052 0.000 0.901 141 L CB 0.794 42.966 42.059 0.189 0.000 1.227 141 L HN 0.715 nan 8.230 nan 0.000 0.454 142 H N 4.361 123.350 119.070 -0.133 0.000 2.641 142 H HA 0.319 4.875 4.556 -0.000 0.000 0.295 142 H C -0.983 174.213 175.328 -0.221 0.000 1.070 142 H CA -0.511 55.474 56.048 -0.106 0.000 1.257 142 H CB 0.488 30.162 29.762 -0.147 0.000 1.393 142 H HN 0.331 nan 8.280 nan 0.000 0.464 143 F N 3.961 123.710 119.950 -0.336 0.000 2.380 143 F HA 0.291 4.818 4.527 -0.000 0.000 0.321 143 F C -0.193 175.231 175.800 -0.626 0.000 1.103 143 F CA -0.410 57.418 58.000 -0.287 0.000 1.067 143 F CB 0.708 39.671 39.000 -0.062 0.000 1.265 143 F HN 0.392 nan 8.300 nan 0.000 0.517 144 F N 0.492 120.448 119.950 0.011 0.000 2.508 144 F HA 0.298 4.825 4.527 -0.000 0.000 0.325 144 F C 0.150 175.985 175.800 0.058 0.000 1.090 144 F CA -1.168 56.821 58.000 -0.019 0.000 0.945 144 F CB 1.148 40.121 39.000 -0.044 0.000 1.156 144 F HN 0.310 nan 8.300 nan 0.000 0.463 145 N N 3.610 122.434 118.700 0.207 0.000 2.468 145 N HA 0.244 4.984 4.740 -0.000 0.000 0.265 145 N C -2.788 172.808 175.510 0.143 0.000 1.199 145 N CA -1.246 51.889 53.050 0.142 0.000 0.928 145 N CB 0.443 38.996 38.487 0.110 0.000 1.059 145 N HN 0.146 nan 8.380 nan 0.000 0.467 146 P HA 0.250 nan 4.420 nan 0.000 0.292 146 P C -0.036 177.330 177.300 0.109 0.000 1.287 146 P CA -0.549 62.603 63.100 0.086 0.000 0.800 146 P CB 1.312 33.047 31.700 0.058 0.000 0.945 147 A N 6.029 128.908 122.820 0.098 0.000 1.927 147 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 147 A C -0.537 177.127 177.584 0.134 0.000 1.185 147 A CA 1.983 54.102 52.037 0.136 0.000 0.639 147 A CB -2.321 16.671 19.000 -0.014 0.000 0.820 147 A HN 0.453 nan 8.150 nan 0.000 0.451 148 P HA -0.023 nan 4.420 nan 0.000 0.220 148 P C 1.521 178.875 177.300 0.090 0.000 1.152 148 P CA 0.924 64.067 63.100 0.071 0.000 0.812 148 P CB -0.008 31.711 31.700 0.031 0.000 0.792 149 V N -1.205 118.758 119.914 0.082 0.000 2.273 149 V HA -0.068 4.052 4.120 -0.000 0.000 0.242 149 V C 1.386 177.529 176.094 0.082 0.000 1.035 149 V CA 1.180 63.523 62.300 0.071 0.000 1.013 149 V CB -0.854 31.004 31.823 0.058 0.000 0.652 149 V HN 0.076 nan 8.190 nan 0.000 0.452 150 M N 0.836 120.500 119.600 0.106 0.000 2.238 150 M HA 0.082 4.562 4.480 -0.000 0.000 0.350 150 M C 1.057 177.417 176.300 0.100 0.000 1.321 150 M CA 0.630 55.989 55.300 0.098 0.000 1.097 150 M CB -0.014 32.676 32.600 0.150 0.000 1.713 150 M HN 0.164 nan 8.290 nan 0.000 0.455 151 K N 1.968 122.392 120.400 0.040 0.000 2.365 151 K HA 0.080 4.400 4.320 -0.000 0.000 0.197 151 K C 0.100 176.705 176.600 0.009 0.000 1.042 151 K CA 0.187 56.493 56.287 0.031 0.000 0.987 151 K CB 0.373 32.874 32.500 0.002 0.000 0.779 151 K HN 0.469 nan 8.250 nan 0.000 0.484 152 L N 1.373 122.593 121.223 -0.005 0.000 2.326 152 L HA 0.230 4.570 4.340 -0.000 0.000 0.278 152 L C -1.108 175.790 176.870 0.047 0.000 1.092 152 L CA -0.197 54.635 54.840 -0.014 0.000 0.810 152 L CB 1.650 43.630 42.059 -0.131 0.000 1.153 152 L HN -0.266 nan 8.230 nan 0.000 0.439 153 V N 4.524 124.392 119.914 -0.077 0.000 2.531 153 V HA 0.380 4.500 4.120 -0.000 0.000 0.301 153 V C -0.452 175.571 176.094 -0.118 0.000 1.034 153 V CA -0.810 61.341 62.300 -0.249 0.000 0.865 153 V CB 1.741 33.230 31.823 -0.557 0.000 0.995 153 V HN 0.725 nan 8.190 nan 0.000 0.424 154 E N 2.992 123.161 120.200 -0.051 0.000 2.229 154 E HA 0.429 4.779 4.350 -0.000 0.000 0.283 154 E C -1.013 175.487 176.600 -0.167 0.000 1.030 154 E CA -0.387 55.990 56.400 -0.039 0.000 0.836 154 E CB 2.013 31.774 29.700 0.102 0.000 1.068 154 E HN 0.433 nan 8.360 nan 0.000 0.401 155 V N 4.649 124.457 119.914 -0.178 0.000 2.328 155 V HA 0.155 4.275 4.120 -0.000 0.000 0.278 155 V C -0.297 175.663 176.094 -0.222 0.000 1.021 155 V CA -0.678 61.509 62.300 -0.189 0.000 0.838 155 V CB 1.288 33.017 31.823 -0.157 0.000 0.999 155 V HN 0.399 nan 8.190 nan 0.000 0.447 156 V N 4.097 123.852 119.914 -0.265 0.000 2.328 156 V HA 0.364 4.484 4.120 -0.000 0.000 0.278 156 V C 0.418 176.403 176.094 -0.182 0.000 1.021 156 V CA -0.340 61.762 62.300 -0.329 0.000 0.838 156 V CB 1.505 32.950 31.823 -0.629 0.000 0.999 156 V HN 0.823 nan 8.190 nan 0.000 0.447 157 S N 3.704 119.333 115.700 -0.117 0.000 2.499 157 S HA 0.532 5.002 4.470 -0.000 0.000 0.275 157 S C 0.803 175.416 174.600 0.022 0.000 1.257 157 S CA -0.125 58.060 58.200 -0.025 0.000 1.050 157 S CB 1.317 64.535 63.200 0.029 0.000 0.937 157 S HN 0.995 nan 8.310 nan 0.000 0.490 158 G N 1.143 109.943 108.800 0.001 0.000 2.588 158 G HA2 0.337 4.297 3.960 -0.000 0.000 0.278 158 G HA3 0.337 4.297 3.960 -0.000 0.000 0.278 158 G C 0.782 175.695 174.900 0.022 0.000 1.307 158 G CA -0.557 44.546 45.100 0.004 0.000 1.016 158 G HN 0.594 nan 8.290 nan 0.000 0.503 159 L N 0.034 121.258 121.223 0.002 0.000 2.201 159 L HA 0.117 4.457 4.340 -0.000 0.000 0.212 159 L C 2.852 179.723 176.870 0.001 0.000 1.105 159 L CA 2.235 57.072 54.840 -0.005 0.000 0.775 159 L CB -0.361 41.687 42.059 -0.018 0.000 0.913 159 L HN 0.548 nan 8.230 nan 0.000 0.440 160 A N -2.386 120.434 122.820 -0.000 0.000 2.095 160 A HA 0.104 4.423 4.320 -0.000 0.000 0.212 160 A C 1.133 178.720 177.584 0.005 0.000 1.162 160 A CA 0.271 52.309 52.037 0.002 0.000 0.753 160 A CB -0.658 18.341 19.000 -0.001 0.000 0.840 160 A HN 0.336 nan 8.150 nan 0.000 0.468 161 T N 2.331 116.889 114.554 0.007 0.000 2.800 161 T HA 0.342 4.692 4.350 -0.000 0.000 0.283 161 T C 0.478 175.181 174.700 0.006 0.000 0.999 161 T CA 0.524 62.627 62.100 0.004 0.000 1.176 161 T CB 0.354 69.221 68.868 -0.003 0.000 0.973 161 T HN 0.526 nan 8.240 nan 0.000 0.519 162 A N 2.940 125.760 122.820 0.000 0.000 2.322 162 A HA 0.660 4.980 4.320 -0.000 0.000 0.269 162 A C 1.590 179.170 177.584 -0.007 0.000 1.094 162 A CA -0.235 51.802 52.037 -0.001 0.000 0.807 162 A CB 0.196 19.195 19.000 -0.002 0.000 1.047 162 A HN 0.995 nan 8.150 nan 0.000 0.487 163 A N 0.770 123.588 122.820 -0.004 0.000 2.067 163 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 163 A C 1.583 179.156 177.584 -0.019 0.000 1.158 163 A CA 1.693 53.724 52.037 -0.010 0.000 0.661 163 A CB -0.480 18.518 19.000 -0.004 0.000 0.801 163 A HN 0.908 nan 8.150 nan 0.000 0.452 164 E N -0.364 119.827 120.200 -0.016 0.000 2.107 164 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 164 E C 1.811 178.394 176.600 -0.028 0.000 0.982 164 E CA 1.108 57.497 56.400 -0.020 0.000 0.809 164 E CB -0.203 29.488 29.700 -0.014 0.000 0.756 164 E HN 0.398 nan 8.360 nan 0.000 0.459 165 V N 1.019 120.917 119.914 -0.026 0.000 2.379 165 V HA -0.198 3.921 4.120 -0.000 0.000 0.245 165 V C 2.313 178.378 176.094 -0.049 0.000 1.044 165 V CA 1.109 63.390 62.300 -0.033 0.000 1.036 165 V CB -0.324 31.485 31.823 -0.023 0.000 0.664 165 V HN 0.125 nan 8.190 nan 0.000 0.453 166 V N -0.093 119.791 119.914 -0.049 0.000 2.287 166 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 166 V C 2.646 178.696 176.094 -0.074 0.000 1.053 166 V CA 1.937 64.197 62.300 -0.066 0.000 1.027 166 V CB -0.665 31.120 31.823 -0.063 0.000 0.646 166 V HN 0.534 nan 8.190 nan 0.000 0.447 167 E N -0.015 120.149 120.200 -0.060 0.000 2.077 167 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 167 E C 2.298 178.854 176.600 -0.073 0.000 0.989 167 E CA 1.400 57.764 56.400 -0.061 0.000 0.800 167 E CB -0.305 29.368 29.700 -0.044 0.000 0.746 167 E HN 0.701 nan 8.360 nan 0.000 0.452 168 Q N 0.167 119.925 119.800 -0.071 0.000 2.061 168 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 168 Q C 2.467 178.391 176.000 -0.127 0.000 0.984 168 Q CA 1.111 56.864 55.803 -0.083 0.000 0.846 168 Q CB -0.151 28.547 28.738 -0.065 0.000 0.902 168 Q HN 0.250 nan 8.270 nan 0.000 0.421 169 L N -0.581 120.564 121.223 -0.129 0.000 2.156 169 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 169 L C 2.495 179.243 176.870 -0.204 0.000 1.095 169 L CA 0.484 55.219 54.840 -0.175 0.000 0.770 169 L CB -0.293 41.683 42.059 -0.137 0.000 0.914 169 L HN 0.358 nan 8.230 nan 0.000 0.439 170 C N -0.277 118.930 119.300 -0.156 0.000 2.453 170 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 170 C C 2.812 177.709 174.990 -0.155 0.000 1.262 170 C CA 1.038 59.968 59.018 -0.147 0.000 1.718 170 C CB -0.584 27.091 27.740 -0.107 0.000 2.031 170 C HN 0.583 nan 8.230 nan 0.000 0.480 171 E N 0.607 120.724 120.200 -0.138 0.000 2.077 171 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 171 E C 2.087 178.574 176.600 -0.187 0.000 0.989 171 E CA 1.181 57.506 56.400 -0.125 0.000 0.800 171 E CB -0.260 29.386 29.700 -0.090 0.000 0.746 171 E HN 0.540 nan 8.360 nan 0.000 0.452 172 L N 1.255 122.318 121.223 -0.267 0.000 1.994 172 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 172 L C 2.677 179.125 176.870 -0.704 0.000 1.071 172 L CA 2.733 57.291 54.840 -0.471 0.000 0.745 172 L CB -0.819 40.915 42.059 -0.543 0.000 0.892 172 L HN 0.349 nan 8.230 nan 0.000 0.431 173 T N -2.682 111.541 114.554 -0.552 0.000 2.788 173 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 173 T C 2.043 176.613 174.700 -0.217 0.000 1.044 173 T CA 1.499 63.338 62.100 -0.435 0.000 1.139 173 T CB -0.880 67.808 68.868 -0.299 0.000 0.867 173 T HN 0.359 nan 8.240 nan 0.000 0.454 174 L N 1.981 123.099 121.223 -0.175 0.000 2.043 174 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 174 L C 3.139 179.987 176.870 -0.037 0.000 1.075 174 L CA 1.773 56.563 54.840 -0.084 0.000 0.752 174 L CB -0.699 41.316 42.059 -0.073 0.000 0.891 174 L HN 0.536 nan 8.230 nan 0.000 0.432 175 S N -1.748 113.903 115.700 -0.080 0.000 2.515 175 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 175 S C 1.230 175.946 174.600 0.195 0.000 0.987 175 S CA 0.170 58.395 58.200 0.042 0.000 0.936 175 S CB -0.344 62.872 63.200 0.027 0.000 0.766 175 S HN 0.453 nan 8.310 nan 0.000 0.528 176 W N 1.714 122.912 121.300 -0.170 0.000 3.388 176 W HA 0.531 5.191 4.660 -0.000 0.000 0.324 176 W C 1.578 177.844 176.519 -0.421 0.000 1.250 176 W CA -0.912 56.070 57.345 -0.606 0.000 1.809 176 W CB -1.146 28.061 29.460 -0.420 0.000 1.083 176 W HN 0.487 nan 8.180 nan 0.000 0.685 177 G N 1.156 110.019 108.800 0.104 0.000 2.160 177 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 177 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 177 G C 0.547 175.503 174.900 0.093 0.000 1.008 177 G CA 0.234 45.417 45.100 0.138 0.000 0.724 177 G HN 0.056 nan 8.290 nan 0.000 0.514 178 K N -0.846 119.595 120.400 0.068 0.000 2.245 178 K HA 0.698 5.018 4.320 -0.000 0.000 0.234 178 K C -0.176 176.416 176.600 -0.013 0.000 1.021 178 K CA -0.964 55.345 56.287 0.037 0.000 0.898 178 K CB 1.245 33.767 32.500 0.037 0.000 1.163 178 K HN 0.156 nan 8.250 nan 0.000 0.459 179 Q N 1.881 121.660 119.800 -0.035 0.000 2.339 179 Q HA 0.326 4.666 4.340 -0.000 0.000 0.268 179 Q C -2.584 173.371 176.000 -0.074 0.000 1.027 179 Q CA -2.089 53.684 55.803 -0.050 0.000 0.759 179 Q CB 1.559 30.272 28.738 -0.041 0.000 1.244 179 Q HN 0.158 nan 8.270 nan 0.000 0.464 180 P HA 0.233 nan 4.420 nan 0.000 0.284 180 P C -0.953 176.300 177.300 -0.079 0.000 1.253 180 P CA -0.421 62.614 63.100 -0.109 0.000 0.800 180 P CB 1.261 32.883 31.700 -0.130 0.000 0.961 181 V N 0.934 120.804 119.914 -0.072 0.000 2.735 181 V HA 0.640 4.760 4.120 -0.000 0.000 0.310 181 V C -0.191 175.857 176.094 -0.077 0.000 1.061 181 V CA -1.185 61.083 62.300 -0.053 0.000 0.913 181 V CB 2.038 33.850 31.823 -0.017 0.000 1.005 181 V HN 0.340 nan 8.190 nan 0.000 0.428 182 R N 2.847 123.297 120.500 -0.085 0.000 2.265 182 R HA 0.822 5.162 4.340 -0.000 0.000 0.319 182 R C -0.398 175.814 176.300 -0.147 0.000 1.006 182 R CA -0.163 55.861 56.100 -0.125 0.000 0.880 182 R CB 1.395 31.619 30.300 -0.127 0.000 1.077 182 R HN 1.121 nan 8.270 nan 0.000 0.454 183 C N -0.173 119.015 119.300 -0.187 0.000 3.173 183 C HA 0.531 4.991 4.460 -0.000 0.000 0.310 183 C C -0.095 174.758 174.990 -0.227 0.000 1.306 183 C CA -1.252 57.652 59.018 -0.190 0.000 1.426 183 C CB 0.907 28.623 27.740 -0.040 0.000 1.800 183 C HN 0.894 nan 8.230 nan 0.000 0.470 184 H N 0.077 119.150 119.070 0.006 0.000 2.597 184 H HA 0.401 4.957 4.556 -0.000 0.000 0.370 184 H C 0.661 176.008 175.328 0.032 0.000 1.281 184 H CA 0.458 56.509 56.048 0.005 0.000 1.422 184 H CB 0.710 30.488 29.762 0.027 0.000 1.524 184 H HN 0.795 nan 8.280 nan 0.000 0.607 185 S N 1.580 117.382 115.700 0.171 0.000 3.530 185 S HA 0.113 4.583 4.470 -0.000 0.000 0.279 185 S C -0.625 174.060 174.600 0.142 0.000 1.280 185 S CA -0.583 57.718 58.200 0.168 0.000 0.946 185 S CB -1.281 61.969 63.200 0.083 0.000 1.501 185 S HN 0.663 nan 8.310 nan 0.000 0.498 186 T N 2.347 117.012 114.554 0.185 0.000 2.907 186 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 186 T C -3.244 171.374 174.700 -0.138 0.000 1.043 186 T CA -2.469 59.633 62.100 0.005 0.000 1.003 186 T CB 1.243 70.160 68.868 0.080 0.000 1.084 186 T HN 0.105 nan 8.240 nan 0.000 0.483 187 P HA 0.227 nan 4.420 nan 0.000 0.261 187 P C 1.227 178.299 177.300 -0.380 0.000 1.173 187 P CA 1.368 64.108 63.100 -0.601 0.000 0.760 187 P CB -0.066 30.961 31.700 -1.121 0.000 0.783 188 G N 2.348 110.847 108.800 -0.502 0.000 2.168 188 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.263 188 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.263 188 G C 0.577 175.356 174.900 -0.201 0.000 0.977 188 G CA 0.235 45.126 45.100 -0.349 0.000 0.659 188 G HN 0.387 nan 8.290 nan 0.000 0.533 189 F N -1.580 118.365 119.950 -0.008 0.000 2.944 189 F HA -0.371 4.156 4.527 -0.000 0.000 0.240 189 F C 2.414 178.274 175.800 0.100 0.000 1.478 189 F CA 1.868 59.890 58.000 0.037 0.000 1.867 189 F CB -1.698 37.322 39.000 0.034 0.000 0.505 189 F HN 0.192 nan 8.300 nan 0.000 0.300 190 I N -1.610 119.183 120.570 0.370 0.000 2.726 190 I HA -0.059 4.110 4.170 -0.000 0.000 0.243 190 I C 1.986 178.241 176.117 0.231 0.000 1.082 190 I CA 0.810 62.259 61.300 0.249 0.000 1.447 190 I CB -0.574 37.540 38.000 0.191 0.000 1.250 190 I HN 0.262 nan 8.210 nan 0.000 0.453 191 V N 1.625 121.703 119.914 0.274 0.000 2.261 191 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 191 V C 2.083 178.314 176.094 0.228 0.000 1.047 191 V CA 1.974 64.401 62.300 0.211 0.000 1.015 191 V CB -0.853 31.115 31.823 0.242 0.000 0.642 191 V HN 0.424 nan 8.190 nan 0.000 0.446 192 N N -0.322 118.539 118.700 0.269 0.000 2.381 192 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 192 N C 1.901 177.507 175.510 0.161 0.000 1.025 192 N CA 1.094 54.267 53.050 0.206 0.000 0.888 192 N CB -0.324 38.227 38.487 0.108 0.000 0.965 192 N HN 0.525 nan 8.380 nan 0.000 0.438 193 R N 0.417 121.010 120.500 0.155 0.000 2.057 193 R HA 0.069 4.409 4.340 -0.000 0.000 0.224 193 R C 1.614 178.079 176.300 0.276 0.000 1.136 193 R CA 0.767 56.969 56.100 0.171 0.000 0.968 193 R CB -0.119 30.293 30.300 0.186 0.000 0.863 193 R HN -0.095 nan 8.270 nan 0.000 0.433 194 V N 1.364 121.422 119.914 0.241 0.000 2.667 194 V HA -0.060 4.060 4.120 -0.000 0.000 0.252 194 V C 2.252 178.504 176.094 0.263 0.000 1.065 194 V CA 1.572 64.018 62.300 0.243 0.000 1.083 194 V CB -0.130 31.817 31.823 0.207 0.000 0.692 194 V HN 0.515 nan 8.190 nan 0.000 0.468 195 A N -0.342 122.628 122.820 0.249 0.000 2.119 195 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 195 A C 2.260 179.989 177.584 0.243 0.000 1.152 195 A CA 0.493 52.683 52.037 0.254 0.000 0.708 195 A CB -0.310 18.816 19.000 0.209 0.000 0.805 195 A HN 0.344 nan 8.150 nan 0.000 0.460 196 R N 0.219 120.919 120.500 0.333 0.000 2.113 196 R HA -0.151 4.189 4.340 -0.000 0.000 0.244 196 R C -0.774 175.699 176.300 0.288 0.000 1.142 196 R CA 1.971 58.312 56.100 0.401 0.000 0.953 196 R CB -2.010 28.598 30.300 0.513 0.000 0.860 196 R HN 0.468 nan 8.270 nan 0.000 0.438 197 P HA -0.098 nan 4.420 nan 0.000 0.229 197 P C 1.155 178.487 177.300 0.054 0.000 1.160 197 P CA 0.681 63.843 63.100 0.104 0.000 0.777 197 P CB -0.236 31.498 31.700 0.057 0.000 0.814 198 Y N 0.724 120.926 120.300 -0.163 0.000 2.128 198 Y HA -0.257 4.292 4.550 -0.000 0.000 0.284 198 Y C 2.245 177.954 175.900 -0.318 0.000 1.154 198 Y CA 1.644 59.520 58.100 -0.374 0.000 1.149 198 Y CB -1.218 36.911 38.460 -0.552 0.000 0.976 198 Y HN -0.083 nan 8.280 nan 0.000 0.505 199 Y N -1.010 119.312 120.300 0.036 0.000 2.206 199 Y HA -0.158 4.392 4.550 -0.000 0.000 0.292 199 Y C 2.930 178.845 175.900 0.025 0.000 1.123 199 Y CA 0.964 59.041 58.100 -0.037 0.000 1.142 199 Y CB -0.776 37.814 38.460 0.217 0.000 1.006 199 Y HN 0.156 nan 8.280 nan 0.000 0.518 200 S N -0.025 115.852 115.700 0.295 0.000 2.383 200 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 200 S C 1.670 176.375 174.600 0.175 0.000 1.026 200 S CA 1.161 59.541 58.200 0.298 0.000 0.981 200 S CB -0.267 63.058 63.200 0.209 0.000 0.818 200 S HN 0.329 nan 8.310 nan 0.000 0.472 201 E N 2.055 122.298 120.200 0.072 0.000 2.110 201 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 201 E C 2.442 179.051 176.600 0.014 0.000 0.988 201 E CA 1.187 57.626 56.400 0.065 0.000 0.804 201 E CB -0.825 28.903 29.700 0.048 0.000 0.745 201 E HN 0.673 nan 8.360 nan 0.000 0.458 202 A N 0.470 123.211 122.820 -0.132 0.000 1.877 202 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 202 A C 2.117 179.582 177.584 -0.198 0.000 1.186 202 A CA 1.398 53.277 52.037 -0.264 0.000 0.620 202 A CB -1.238 17.463 19.000 -0.499 0.000 0.822 202 A HN 0.339 nan 8.150 nan 0.000 0.443 203 W N -0.498 120.795 121.300 -0.011 0.000 2.363 203 W HA -0.100 4.560 4.660 -0.000 0.000 0.296 203 W C 2.647 179.159 176.519 -0.010 0.000 1.212 203 W CA 1.100 58.440 57.345 -0.009 0.000 1.260 203 W CB -0.125 29.347 29.460 0.019 0.000 1.131 203 W HN 0.232 nan 8.180 nan 0.000 0.530 204 R N -0.005 120.628 120.500 0.223 0.000 2.092 204 R HA -0.112 4.227 4.340 -0.000 0.000 0.231 204 R C 2.338 178.690 176.300 0.087 0.000 1.119 204 R CA 1.389 57.585 56.100 0.160 0.000 0.970 204 R CB -0.689 29.714 30.300 0.172 0.000 0.864 204 R HN 0.170 nan 8.270 nan 0.000 0.440 205 A N 0.988 123.808 122.820 -0.000 0.000 1.898 205 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 205 A C 2.125 179.599 177.584 -0.184 0.000 1.181 205 A CA 0.923 52.813 52.037 -0.245 0.000 0.620 205 A CB -0.425 18.423 19.000 -0.253 0.000 0.819 205 A HN 0.184 nan 8.150 nan 0.000 0.442 206 L N -0.932 120.246 121.223 -0.075 0.000 2.017 206 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 206 L C 2.681 179.556 176.870 0.008 0.000 1.073 206 L CA 1.951 56.774 54.840 -0.030 0.000 0.745 206 L CB -0.456 41.626 42.059 0.039 0.000 0.894 206 L HN 0.574 nan 8.230 nan 0.000 0.432 207 E N 0.191 120.426 120.200 0.057 0.000 2.130 207 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 207 E C 1.573 178.188 176.600 0.025 0.000 0.998 207 E CA 1.386 57.817 56.400 0.051 0.000 0.806 207 E CB 0.143 29.887 29.700 0.072 0.000 0.738 207 E HN 0.482 nan 8.360 nan 0.000 0.459 208 E N -0.210 119.991 120.200 0.001 0.000 2.479 208 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 208 E C -0.438 176.128 176.600 -0.057 0.000 1.049 208 E CA -0.051 56.346 56.400 -0.005 0.000 0.870 208 E CB 0.318 30.042 29.700 0.040 0.000 0.944 208 E HN 0.229 nan 8.360 nan 0.000 0.492 209 Q N -0.459 119.296 119.800 -0.075 0.000 2.451 209 Q HA -0.204 4.136 4.340 -0.000 0.000 0.305 209 Q C 0.835 176.767 176.000 -0.113 0.000 1.345 209 Q CA 0.010 55.768 55.803 -0.076 0.000 0.854 209 Q CB -1.735 26.980 28.738 -0.038 0.000 1.162 209 Q HN 0.184 nan 8.270 nan 0.000 0.440 210 V N -1.314 118.476 119.914 -0.207 0.000 2.453 210 V HA 0.013 4.133 4.120 -0.000 0.000 0.247 210 V C 0.935 176.939 176.094 -0.150 0.000 1.048 210 V CA 1.889 64.031 62.300 -0.263 0.000 1.049 210 V CB 0.067 31.534 31.823 -0.594 0.000 0.672 210 V HN 0.640 nan 8.190 nan 0.000 0.457 211 A N -1.553 121.187 122.820 -0.132 0.000 2.597 211 A HA 0.777 5.097 4.320 -0.000 0.000 0.292 211 A C -0.459 177.080 177.584 -0.076 0.000 1.057 211 A CA -0.132 51.855 52.037 -0.083 0.000 0.674 211 A CB 0.664 19.620 19.000 -0.073 0.000 1.278 211 A HN 0.583 nan 8.150 nan 0.000 0.416 212 A N 1.644 124.435 122.820 -0.049 0.000 2.507 212 A HA 0.526 4.846 4.320 -0.000 0.000 0.235 212 A C -1.086 176.472 177.584 -0.044 0.000 1.070 212 A CA -0.214 51.800 52.037 -0.039 0.000 0.768 212 A CB -0.404 18.588 19.000 -0.013 0.000 1.011 212 A HN 0.584 nan 8.150 nan 0.000 0.502 213 P HA -0.151 nan 4.420 nan 0.000 0.218 213 P C 0.645 177.997 177.300 0.085 0.000 1.148 213 P CA 1.524 64.580 63.100 -0.074 0.000 0.822 213 P CB 0.096 31.638 31.700 -0.263 0.000 0.784 214 E N -0.206 120.086 120.200 0.154 0.000 2.106 214 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 214 E C 2.117 178.740 176.600 0.039 0.000 0.984 214 E CA 0.832 57.304 56.400 0.121 0.000 0.806 214 E CB -1.216 28.518 29.700 0.056 0.000 0.750 214 E HN 0.061 nan 8.360 nan 0.000 0.458 215 V N 1.041 120.964 119.914 0.015 0.000 2.307 215 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 215 V C 2.179 178.266 176.094 -0.011 0.000 1.045 215 V CA 1.526 63.825 62.300 -0.002 0.000 1.024 215 V CB -0.463 31.353 31.823 -0.011 0.000 0.651 215 V HN 0.240 nan 8.190 nan 0.000 0.449 216 I N 0.349 120.898 120.570 -0.034 0.000 2.118 216 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 216 I C 2.291 178.375 176.117 -0.056 0.000 1.070 216 I CA 1.872 63.133 61.300 -0.065 0.000 1.327 216 I CB -0.561 37.364 38.000 -0.125 0.000 1.034 216 I HN 0.302 nan 8.210 nan 0.000 0.405 217 D N 0.796 121.182 120.400 -0.023 0.000 2.178 217 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 217 D C 2.171 178.486 176.300 0.024 0.000 0.980 217 D CA 1.476 55.478 54.000 0.004 0.000 0.842 217 D CB -0.109 40.730 40.800 0.066 0.000 0.948 217 D HN 0.385 nan 8.370 nan 0.000 0.472 218 A N 0.581 123.412 122.820 0.018 0.000 1.970 218 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 218 A C 2.257 179.866 177.584 0.043 0.000 1.170 218 A CA 1.495 53.548 52.037 0.026 0.000 0.645 218 A CB -0.461 18.546 19.000 0.011 0.000 0.816 218 A HN 0.198 nan 8.150 nan 0.000 0.447 219 A N -0.284 122.557 122.820 0.035 0.000 1.902 219 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 219 A C 2.028 179.664 177.584 0.086 0.000 1.181 219 A CA 1.634 53.702 52.037 0.052 0.000 0.623 219 A CB -0.405 18.618 19.000 0.037 0.000 0.818 219 A HN 0.377 nan 8.150 nan 0.000 0.443 220 L N -0.936 120.333 121.223 0.078 0.000 2.095 220 L HA 0.001 4.341 4.340 -0.000 0.000 0.204 220 L C 2.566 179.615 176.870 0.299 0.000 1.080 220 L CA 1.798 56.734 54.840 0.160 0.000 0.759 220 L CB -1.222 40.833 42.059 -0.008 0.000 0.914 220 L HN 0.547 nan 8.230 nan 0.000 0.439 221 R N 0.174 120.796 120.500 0.202 0.000 2.056 221 R HA -0.128 4.211 4.340 -0.000 0.000 0.227 221 R C 1.324 177.707 176.300 0.139 0.000 1.149 221 R CA 1.743 57.962 56.100 0.198 0.000 0.937 221 R CB 0.083 30.466 30.300 0.138 0.000 0.835 221 R HN 0.249 nan 8.270 nan 0.000 0.430 222 D N -1.456 119.001 120.400 0.095 0.000 2.339 222 D HA 0.072 4.712 4.640 -0.000 0.000 0.217 222 D C 1.156 177.495 176.300 0.066 0.000 1.050 222 D CA 0.722 54.760 54.000 0.064 0.000 0.856 222 D CB 0.961 41.785 40.800 0.040 0.000 0.922 222 D HN 0.516 nan 8.370 nan 0.000 0.518 223 G N 0.206 109.061 108.800 0.092 0.000 2.798 223 G HA2 0.201 4.161 3.960 -0.000 0.000 0.200 223 G HA3 0.201 4.161 3.960 -0.000 0.000 0.200 223 G C 1.420 176.389 174.900 0.115 0.000 1.092 223 G CA 0.576 45.731 45.100 0.091 0.000 0.800 223 G HN 0.260 nan 8.290 nan 0.000 0.566 224 A N -0.404 122.522 122.820 0.176 0.000 2.044 224 A HA 0.485 4.805 4.320 -0.000 0.000 0.213 224 A C 1.940 179.627 177.584 0.173 0.000 1.169 224 A CA 1.547 53.733 52.037 0.248 0.000 0.724 224 A CB -0.226 19.049 19.000 0.459 0.000 0.840 224 A HN 1.613 nan 8.150 nan 0.000 0.463 225 G N -1.975 106.904 108.800 0.131 0.000 2.144 225 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 225 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 225 G C -0.026 174.822 174.900 -0.087 0.000 0.988 225 G CA -0.106 44.985 45.100 -0.014 0.000 0.659 225 G HN 0.279 nan 8.290 nan 0.000 0.522 226 F N 1.106 121.072 119.950 0.026 0.000 2.518 226 F HA 0.322 4.849 4.527 -0.000 0.000 0.359 226 F C 0.237 176.062 175.800 0.042 0.000 1.118 226 F CA -1.051 56.955 58.000 0.010 0.000 1.287 226 F CB 0.802 39.822 39.000 0.034 0.000 1.132 226 F HN -0.087 nan 8.300 nan 0.000 0.587 227 P HA -0.152 nan 4.420 nan 0.000 0.217 227 P C 0.111 177.515 177.300 0.174 0.000 1.150 227 P CA 1.557 64.739 63.100 0.136 0.000 0.832 227 P CB 0.654 32.419 31.700 0.107 0.000 0.787 228 M N -0.831 118.920 119.600 0.250 0.000 2.446 228 M HA 0.495 4.975 4.480 -0.000 0.000 0.294 228 M C -0.079 176.410 176.300 0.313 0.000 1.158 228 M CA -0.779 54.667 55.300 0.244 0.000 0.899 228 M CB 2.907 35.648 32.600 0.235 0.000 1.687 228 M HN -0.180 nan 8.290 nan 0.000 0.455 229 G N 2.934 111.861 108.800 0.213 0.000 2.544 229 G HA2 0.263 4.223 3.960 -0.000 0.000 0.242 229 G HA3 0.263 4.223 3.960 -0.000 0.000 0.242 229 G C -1.954 172.982 174.900 0.059 0.000 1.247 229 G CA -0.970 44.201 45.100 0.117 0.000 0.840 229 G HN 0.494 nan 8.290 nan 0.000 0.578 230 P HA -0.136 nan 4.420 nan 0.000 0.215 230 P C 1.947 179.207 177.300 -0.068 0.000 1.153 230 P CA 1.022 63.906 63.100 -0.359 0.000 0.853 230 P CB 0.223 31.356 31.700 -0.945 0.000 0.788 231 L N 0.288 121.414 121.223 -0.162 0.000 2.023 231 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 231 L C 2.972 179.933 176.870 0.152 0.000 1.073 231 L CA 1.868 56.605 54.840 -0.172 0.000 0.745 231 L CB -1.346 40.524 42.059 -0.314 0.000 0.900 231 L HN 0.056 nan 8.230 nan 0.000 0.435 232 E N 0.559 120.981 120.200 0.371 0.000 2.118 232 E HA -0.284 4.066 4.350 -0.000 0.000 0.195 232 E C 2.208 179.039 176.600 0.384 0.000 0.992 232 E CA 1.314 58.011 56.400 0.496 0.000 0.804 232 E CB -0.497 29.386 29.700 0.305 0.000 0.741 232 E HN 0.307 nan 8.360 nan 0.000 0.458 233 L N 2.268 123.669 121.223 0.298 0.000 2.083 233 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 233 L C 2.546 179.561 176.870 0.241 0.000 1.083 233 L CA 2.599 57.620 54.840 0.301 0.000 0.752 233 L CB -0.882 41.424 42.059 0.411 0.000 0.899 233 L HN 0.444 nan 8.230 nan 0.000 0.433 234 T N -4.485 110.192 114.554 0.204 0.000 2.821 234 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 234 T C 1.694 176.490 174.700 0.160 0.000 1.046 234 T CA 1.220 63.399 62.100 0.132 0.000 1.139 234 T CB -0.633 68.343 68.868 0.179 0.000 0.871 234 T HN 0.267 nan 8.240 nan 0.000 0.454 235 D N 1.194 121.735 120.400 0.234 0.000 2.149 235 D HA 0.020 4.660 4.640 -0.000 0.000 0.198 235 D C 1.956 178.262 176.300 0.010 0.000 0.990 235 D CA 0.714 54.849 54.000 0.226 0.000 0.839 235 D CB -0.352 40.802 40.800 0.590 0.000 0.948 235 D HN 0.349 nan 8.370 nan 0.000 0.460 236 L N -0.078 121.168 121.223 0.038 0.000 2.131 236 L HA 0.024 4.364 4.340 -0.000 0.000 0.206 236 L C 2.260 179.119 176.870 -0.018 0.000 1.087 236 L CA 0.438 55.237 54.840 -0.068 0.000 0.767 236 L CB 0.004 42.067 42.059 0.008 0.000 0.917 236 L HN 0.012 nan 8.230 nan 0.000 0.441 237 I N -0.537 120.060 120.570 0.044 0.000 2.394 237 I HA -0.052 4.118 4.170 -0.000 0.000 0.251 237 I C 0.849 176.978 176.117 0.020 0.000 1.136 237 I CA 0.751 62.078 61.300 0.044 0.000 1.425 237 I CB -0.459 37.575 38.000 0.057 0.000 1.079 237 I HN 0.361 nan 8.210 nan 0.000 0.425 238 G N 0.802 109.611 108.800 0.015 0.000 3.233 238 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 238 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 238 G C 0.039 174.963 174.900 0.041 0.000 1.153 238 G CA -0.709 44.398 45.100 0.012 0.000 0.853 238 G HN -0.009 nan 8.290 nan 0.000 0.582 239 Q N 0.938 120.767 119.800 0.049 0.000 2.119 239 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 239 Q C 2.395 178.426 176.000 0.052 0.000 0.972 239 Q CA 2.159 57.999 55.803 0.061 0.000 0.847 239 Q CB -0.112 28.647 28.738 0.034 0.000 0.903 239 Q HN 0.934 nan 8.270 nan 0.000 0.433 240 D N -0.068 120.354 120.400 0.037 0.000 2.117 240 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 240 D C 1.929 178.289 176.300 0.101 0.000 0.987 240 D CA 1.039 55.081 54.000 0.070 0.000 0.829 240 D CB -0.587 40.235 40.800 0.037 0.000 0.961 240 D HN 0.082 nan 8.370 nan 0.000 0.460 241 V N 1.573 121.525 119.914 0.063 0.000 2.358 241 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 241 V C 2.590 178.714 176.094 0.049 0.000 1.047 241 V CA 1.798 64.128 62.300 0.051 0.000 1.035 241 V CB -0.932 30.915 31.823 0.041 0.000 0.658 241 V HN 0.358 nan 8.190 nan 0.000 0.452 242 N N -0.252 118.474 118.700 0.044 0.000 2.142 242 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 242 N C 2.013 177.560 175.510 0.062 0.000 1.023 242 N CA 1.504 54.553 53.050 -0.002 0.000 0.852 242 N CB -0.127 38.307 38.487 -0.089 0.000 0.998 242 N HN 0.430 nan 8.380 nan 0.000 0.424 243 F N 1.996 121.911 119.950 -0.059 0.000 2.134 243 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 243 F C 2.410 178.181 175.800 -0.048 0.000 1.097 243 F CA 1.433 59.385 58.000 -0.080 0.000 1.264 243 F CB -0.670 38.261 39.000 -0.115 0.000 1.001 243 F HN 0.092 nan 8.300 nan 0.000 0.479 244 A N -0.286 122.537 122.820 0.005 0.000 1.908 244 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 244 A C 2.311 179.824 177.584 -0.118 0.000 1.181 244 A CA 2.051 54.035 52.037 -0.087 0.000 0.627 244 A CB -1.368 17.632 19.000 0.001 0.000 0.818 244 A HN 0.269 nan 8.150 nan 0.000 0.445 245 V N -0.505 119.371 119.914 -0.063 0.000 2.358 245 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 245 V C 2.714 178.772 176.094 -0.059 0.000 1.047 245 V CA 2.386 64.655 62.300 -0.052 0.000 1.035 245 V CB -1.316 30.513 31.823 0.010 0.000 0.658 245 V HN 0.591 nan 8.190 nan 0.000 0.452 246 T N -0.709 113.812 114.554 -0.055 0.000 2.652 246 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 246 T C 1.991 176.627 174.700 -0.107 0.000 1.039 246 T CA 2.141 64.218 62.100 -0.039 0.000 1.153 246 T CB -0.539 68.305 68.868 -0.040 0.000 0.863 246 T HN 0.541 nan 8.240 nan 0.000 0.428 247 C N 1.041 120.165 119.300 -0.293 0.000 2.429 247 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 247 C C 3.287 178.242 174.990 -0.058 0.000 1.262 247 C CA 1.071 59.956 59.018 -0.222 0.000 1.733 247 C CB -1.296 26.175 27.740 -0.448 0.000 2.010 247 C HN 0.645 nan 8.230 nan 0.000 0.483 248 S N 0.337 115.966 115.700 -0.119 0.000 2.356 248 S HA -0.143 4.327 4.470 -0.000 0.000 0.223 248 S C 1.855 176.358 174.600 -0.162 0.000 1.032 248 S CA 1.990 60.108 58.200 -0.137 0.000 1.005 248 S CB -0.242 62.864 63.200 -0.156 0.000 0.867 248 S HN 0.400 nan 8.310 nan 0.000 0.449 249 V N 1.362 121.193 119.914 -0.139 0.000 2.343 249 V HA -0.082 4.038 4.120 -0.000 0.000 0.247 249 V C 2.047 178.106 176.094 -0.059 0.000 1.051 249 V CA 2.057 64.242 62.300 -0.193 0.000 1.036 249 V CB -0.920 30.754 31.823 -0.248 0.000 0.654 249 V HN 0.653 nan 8.190 nan 0.000 0.451 250 F N 1.848 121.749 119.950 -0.082 0.000 2.069 250 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 250 F C 2.105 177.911 175.800 0.010 0.000 1.113 250 F CA 2.349 60.385 58.000 0.060 0.000 1.214 250 F CB -0.664 38.359 39.000 0.039 0.000 0.978 250 F HN 0.226 nan 8.300 nan 0.000 0.474 251 N N -0.128 118.487 118.700 -0.142 0.000 2.188 251 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 251 N C 1.834 177.100 175.510 -0.407 0.000 1.018 251 N CA 0.909 53.783 53.050 -0.294 0.000 0.858 251 N CB -0.329 38.069 38.487 -0.149 0.000 0.989 251 N HN 0.379 nan 8.380 nan 0.000 0.426 252 A N -0.088 122.464 122.820 -0.446 0.000 2.119 252 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 252 A C 1.013 177.995 177.584 -1.005 0.000 1.152 252 A CA 0.650 52.258 52.037 -0.715 0.000 0.708 252 A CB -0.357 18.252 19.000 -0.652 0.000 0.805 252 A HN 0.262 nan 8.150 nan 0.000 0.460 253 F N -1.230 118.385 119.950 -0.558 0.000 2.713 253 F HA 0.159 4.686 4.527 -0.000 0.000 0.294 253 F C -0.159 175.523 175.800 -0.197 0.000 1.152 253 F CA -0.482 57.290 58.000 -0.381 0.000 1.385 253 F CB 0.004 38.953 39.000 -0.086 0.000 0.981 253 F HN 0.323 nan 8.300 nan 0.000 0.514 254 W N 1.554 122.827 121.300 -0.046 0.000 6.905 254 W HA -0.294 4.366 4.660 -0.000 0.000 0.419 254 W C 0.361 176.753 176.519 -0.213 0.000 1.653 254 W CA 0.592 57.863 57.345 -0.124 0.000 1.131 254 W CB -2.616 26.809 29.460 -0.058 0.000 2.876 254 W HN 0.434 nan 8.180 nan 0.000 1.563 255 Q N -2.238 117.322 119.800 -0.399 0.000 2.478 255 Q HA -0.224 4.116 4.340 -0.000 0.000 0.286 255 Q C 0.429 176.338 176.000 -0.152 0.000 1.299 255 Q CA 1.554 56.864 55.803 -0.821 0.000 0.826 255 Q CB -0.984 27.456 28.738 -0.496 0.000 1.199 255 Q HN 0.317 nan 8.270 nan 0.000 0.451 256 E N 0.103 120.354 120.200 0.084 0.000 2.366 256 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 256 E C 0.947 177.719 176.600 0.287 0.000 1.015 256 E CA 0.047 56.572 56.400 0.207 0.000 0.906 256 E CB 0.703 30.561 29.700 0.263 0.000 0.979 256 E HN 0.218 nan 8.360 nan 0.000 0.443 257 R N 3.057 123.649 120.500 0.154 0.000 2.148 257 R HA -0.069 4.271 4.340 -0.000 0.000 0.227 257 R C 1.908 178.166 176.300 -0.070 0.000 1.103 257 R CA 1.073 57.239 56.100 0.109 0.000 0.983 257 R CB 0.027 30.350 30.300 0.038 0.000 0.874 257 R HN 0.434 nan 8.270 nan 0.000 0.451 258 R N -1.353 118.991 120.500 -0.261 0.000 2.211 258 R HA -0.134 4.206 4.340 -0.000 0.000 0.240 258 R C 0.506 176.446 176.300 -0.600 0.000 1.144 258 R CA 1.366 57.130 56.100 -0.560 0.000 0.992 258 R CB -0.076 29.693 30.300 -0.885 0.000 0.869 258 R HN 0.236 nan 8.270 nan 0.000 0.462 259 F N -0.510 119.483 119.950 0.071 0.000 2.668 259 F HA 0.187 4.714 4.527 -0.000 0.000 0.301 259 F C 0.108 175.919 175.800 0.018 0.000 1.106 259 F CA -1.020 57.051 58.000 0.118 0.000 1.289 259 F CB 0.418 39.551 39.000 0.221 0.000 1.006 259 F HN -0.093 nan 8.300 nan 0.000 0.535 260 L N 3.096 124.311 121.223 -0.013 0.000 2.525 260 L HA 0.161 4.501 4.340 -0.000 0.000 0.278 260 L C -2.100 174.544 176.870 -0.376 0.000 1.218 260 L CA -1.374 53.209 54.840 -0.427 0.000 0.878 260 L CB 0.039 41.977 42.059 -0.202 0.000 1.127 260 L HN -0.122 nan 8.230 nan 0.000 0.492 261 P HA 0.241 nan 4.420 nan 0.000 0.277 261 P C -1.491 175.720 177.300 -0.149 0.000 1.271 261 P CA -0.596 62.330 63.100 -0.290 0.000 0.795 261 P CB 0.860 32.355 31.700 -0.342 0.000 1.101 262 S N -0.429 115.218 115.700 -0.088 0.000 2.482 262 S HA 0.317 4.787 4.470 -0.000 0.000 0.303 262 S C 1.095 175.605 174.600 -0.150 0.000 1.091 262 S CA -0.713 57.412 58.200 -0.126 0.000 1.057 262 S CB 0.051 63.119 63.200 -0.221 0.000 1.031 262 S HN 0.302 nan 8.310 nan 0.000 0.485 263 L N 4.322 125.480 121.223 -0.107 0.000 2.131 263 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 263 L C 2.144 178.897 176.870 -0.194 0.000 1.092 263 L CA 0.887 55.656 54.840 -0.119 0.000 0.759 263 L CB -0.515 41.507 42.059 -0.062 0.000 0.903 263 L HN 0.584 nan 8.230 nan 0.000 0.435 264 V N -0.450 119.344 119.914 -0.201 0.000 2.270 264 V HA -0.328 3.792 4.120 -0.000 0.000 0.245 264 V C 2.428 178.237 176.094 -0.475 0.000 1.043 264 V CA 1.991 64.165 62.300 -0.209 0.000 1.014 264 V CB -0.568 31.252 31.823 -0.004 0.000 0.645 264 V HN 0.504 nan 8.190 nan 0.000 0.447 265 Q N -0.247 118.994 119.800 -0.933 0.000 2.079 265 Q HA -0.288 4.052 4.340 -0.000 0.000 0.200 265 Q C 2.400 177.869 176.000 -0.885 0.000 0.974 265 Q CA 2.091 57.176 55.803 -1.198 0.000 0.840 265 Q CB -0.152 27.655 28.738 -1.551 0.000 0.898 265 Q HN 0.739 nan 8.270 nan 0.000 0.430 266 Q N 0.440 119.711 119.800 -0.882 0.000 2.045 266 Q HA -0.306 4.034 4.340 -0.000 0.000 0.206 266 Q C 1.883 177.554 176.000 -0.548 0.000 0.991 266 Q CA 2.165 57.399 55.803 -0.948 0.000 0.851 266 Q CB -0.146 28.321 28.738 -0.452 0.000 0.911 266 Q HN 0.403 nan 8.270 nan 0.000 0.418 267 E N -0.032 119.953 120.200 -0.357 0.000 2.097 267 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 267 E C 1.932 178.404 176.600 -0.213 0.000 1.000 267 E CA 1.648 57.912 56.400 -0.227 0.000 0.804 267 E CB -0.245 29.359 29.700 -0.159 0.000 0.740 267 E HN 0.491 nan 8.360 nan 0.000 0.454 268 L N -0.624 120.450 121.223 -0.249 0.000 2.056 268 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 268 L C 2.435 179.193 176.870 -0.185 0.000 1.078 268 L CA 0.772 55.509 54.840 -0.173 0.000 0.749 268 L CB -0.427 41.556 42.059 -0.127 0.000 0.901 268 L HN 0.106 nan 8.230 nan 0.000 0.433 269 V N 0.138 119.868 119.914 -0.307 0.000 2.295 269 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 269 V C 2.319 178.304 176.094 -0.182 0.000 1.049 269 V CA 1.885 64.026 62.300 -0.266 0.000 1.024 269 V CB -0.282 31.274 31.823 -0.445 0.000 0.648 269 V HN 0.304 nan 8.190 nan 0.000 0.447 270 I N 0.691 121.135 120.570 -0.209 0.000 2.286 270 I HA -0.160 4.009 4.170 -0.000 0.000 0.248 270 I C 2.235 178.299 176.117 -0.089 0.000 1.115 270 I CA 1.664 62.886 61.300 -0.129 0.000 1.392 270 I CB -0.490 37.431 38.000 -0.132 0.000 1.065 270 I HN 0.432 nan 8.210 nan 0.000 0.418 271 G N -0.625 108.118 108.800 -0.095 0.000 3.088 271 G HA2 0.195 4.155 3.960 -0.000 0.000 0.212 271 G HA3 0.195 4.155 3.960 -0.000 0.000 0.212 271 G C 1.285 176.159 174.900 -0.044 0.000 1.173 271 G CA 0.421 45.485 45.100 -0.061 0.000 0.779 271 G HN 0.550 nan 8.290 nan 0.000 0.540 272 G N 0.252 109.021 108.800 -0.051 0.000 2.153 272 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 272 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 272 G C 0.571 175.462 174.900 -0.015 0.000 0.994 272 G CA -0.033 45.049 45.100 -0.030 0.000 0.698 272 G HN 0.571 nan 8.290 nan 0.000 0.521 273 R N 0.163 120.652 120.500 -0.018 0.000 3.171 273 R HA 0.398 4.738 4.340 -0.000 0.000 0.241 273 R C 1.260 177.572 176.300 0.021 0.000 1.421 273 R CA -0.443 55.665 56.100 0.014 0.000 1.444 273 R CB 0.012 30.323 30.300 0.019 0.000 1.247 273 R HN 0.371 nan 8.270 nan 0.000 0.636 274 L N 0.513 121.745 121.223 0.016 0.000 2.612 274 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 274 L C 1.175 178.059 176.870 0.023 0.000 1.140 274 L CA 0.072 54.918 54.840 0.010 0.000 0.896 274 L CB -0.320 41.735 42.059 -0.006 0.000 1.065 274 L HN 0.800 nan 8.230 nan 0.000 0.447 275 G N 0.649 109.483 108.800 0.056 0.000 2.443 275 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.209 275 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.209 275 G C 0.363 175.161 174.900 -0.170 0.000 1.176 275 G CA 0.107 45.233 45.100 0.044 0.000 1.074 275 G HN 0.061 nan 8.290 nan 0.000 0.577 276 K N 1.086 121.130 120.400 -0.593 0.000 2.057 276 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 276 K C 2.587 178.961 176.600 -0.376 0.000 1.049 276 K CA 2.155 57.859 56.287 -0.972 0.000 0.931 276 K CB -0.320 31.412 32.500 -1.280 0.000 0.714 276 K HN 0.551 nan 8.250 nan 0.000 0.440 277 K N -0.131 120.125 120.400 -0.239 0.000 2.360 277 K HA -0.069 4.251 4.320 -0.000 0.000 0.201 277 K C 1.248 177.810 176.600 -0.063 0.000 1.046 277 K CA 1.705 57.918 56.287 -0.123 0.000 0.945 277 K CB 0.084 32.532 32.500 -0.087 0.000 0.750 277 K HN 0.114 nan 8.250 nan 0.000 0.464 278 S N -1.683 113.990 115.700 -0.044 0.000 2.730 278 S HA 0.399 4.869 4.470 -0.000 0.000 0.244 278 S C 1.189 175.811 174.600 0.038 0.000 1.022 278 S CA -0.185 58.015 58.200 -0.001 0.000 1.014 278 S CB 0.699 63.901 63.200 0.004 0.000 0.963 278 S HN 0.585 nan 8.310 nan 0.000 0.540 279 G N 0.779 109.611 108.800 0.053 0.000 2.241 279 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.244 279 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.244 279 G C -0.313 174.744 174.900 0.261 0.000 0.998 279 G CA 0.299 45.487 45.100 0.147 0.000 0.621 279 G HN 1.244 nan 8.290 nan 0.000 0.519 280 L N -0.335 121.027 121.223 0.232 0.000 2.588 280 L HA 0.778 5.118 4.340 -0.000 0.000 0.263 280 L C 0.357 177.360 176.870 0.221 0.000 0.935 280 L CA 0.748 55.745 54.840 0.262 0.000 0.891 280 L CB 1.280 43.428 42.059 0.148 0.000 1.318 280 L HN 0.796 nan 8.230 nan 0.000 0.409 281 G N 2.408 111.378 108.800 0.283 0.000 3.190 281 G HA2 0.301 4.261 3.960 -0.000 0.000 0.191 281 G HA3 0.301 4.261 3.960 -0.000 0.000 0.191 281 G C 0.318 175.299 174.900 0.135 0.000 1.523 281 G CA 0.388 45.608 45.100 0.200 0.000 0.842 281 G HN 0.407 nan 8.290 nan 0.000 0.782 282 V N 0.196 120.174 119.914 0.106 0.000 2.427 282 V HA 0.097 4.217 4.120 -0.000 0.000 0.248 282 V C 0.726 176.649 176.094 -0.285 0.000 1.051 282 V CA 1.258 63.469 62.300 -0.148 0.000 1.048 282 V CB -0.718 30.881 31.823 -0.374 0.000 0.666 282 V HN 0.339 nan 8.190 nan 0.000 0.456 283 Y N -1.170 119.184 120.300 0.090 0.000 2.487 283 Y HA 0.478 5.028 4.550 -0.000 0.000 0.337 283 Y C 0.080 175.922 175.900 -0.097 0.000 1.076 283 Y CA -1.150 56.879 58.100 -0.118 0.000 1.115 283 Y CB 1.009 39.223 38.460 -0.411 0.000 1.235 283 Y HN -0.124 nan 8.280 nan 0.000 0.468 284 D N 1.445 121.859 120.400 0.023 0.000 2.365 284 D HA 0.036 4.676 4.640 -0.000 0.000 0.237 284 D C -0.412 175.849 176.300 -0.064 0.000 1.190 284 D CA -0.099 53.921 54.000 0.033 0.000 0.867 284 D CB 0.371 41.185 40.800 0.023 0.000 1.050 284 D HN 0.534 nan 8.370 nan 0.000 0.491 285 W N 2.856 124.203 121.300 0.079 0.000 3.003 285 W HA 0.126 4.786 4.660 -0.000 0.000 0.257 285 W C 1.987 178.528 176.519 0.035 0.000 1.308 285 W CA -0.282 57.096 57.345 0.055 0.000 1.529 285 W CB 0.218 29.714 29.460 0.059 0.000 1.115 285 W HN 0.333 nan 8.180 nan 0.000 0.659 286 R N 0.117 120.736 120.500 0.200 0.000 2.236 286 R HA 0.219 4.559 4.340 -0.000 0.000 0.208 286 R C 0.839 177.183 176.300 0.073 0.000 1.036 286 R CA 0.586 56.761 56.100 0.124 0.000 1.001 286 R CB -0.168 30.191 30.300 0.097 0.000 0.896 286 R HN -0.056 nan 8.270 nan 0.000 0.464 287 A N 1.712 124.558 122.820 0.043 0.000 2.356 287 A HA 0.276 4.596 4.320 -0.000 0.000 0.323 287 A C -0.420 177.147 177.584 -0.030 0.000 1.119 287 A CA -0.863 51.178 52.037 0.006 0.000 0.790 287 A CB 0.889 19.885 19.000 -0.007 0.000 1.273 287 A HN 0.252 nan 8.150 nan 0.000 0.452 288 E N 1.399 121.580 120.200 -0.032 0.000 2.404 288 E HA 0.307 4.657 4.350 -0.000 0.000 0.261 288 E C -0.609 175.926 176.600 -0.108 0.000 1.074 288 E CA -0.119 56.244 56.400 -0.061 0.000 0.917 288 E CB 0.685 30.363 29.700 -0.036 0.000 0.965 288 E HN 0.509 nan 8.360 nan 0.000 0.433 289 R N 1.758 122.162 120.500 -0.161 0.000 2.437 289 R HA 0.178 4.518 4.340 -0.000 0.000 0.310 289 R C -0.631 175.582 176.300 -0.146 0.000 0.955 289 R CA -0.593 55.392 56.100 -0.191 0.000 0.851 289 R CB 1.558 31.654 30.300 -0.339 0.000 1.161 289 R HN 0.633 nan 8.270 nan 0.000 0.446 290 E N 1.418 121.553 120.200 -0.108 0.000 2.398 290 E HA 0.178 4.528 4.350 -0.000 0.000 0.263 290 E C -0.192 176.354 176.600 -0.091 0.000 1.046 290 E CA -0.288 56.064 56.400 -0.079 0.000 0.908 290 E CB 0.716 30.383 29.700 -0.055 0.000 0.963 290 E HN 0.530 nan 8.360 nan 0.000 0.431 291 A N 1.988 124.766 122.820 -0.070 0.000 2.366 291 A HA 0.286 4.606 4.320 -0.000 0.000 0.249 291 A C 0.180 177.737 177.584 -0.046 0.000 1.084 291 A CA -0.789 51.211 52.037 -0.062 0.000 0.794 291 A CB 0.238 19.211 19.000 -0.045 0.000 1.034 291 A HN 0.476 nan 8.150 nan 0.000 0.491 292 V N 1.482 121.373 119.914 -0.039 0.000 2.715 292 V HA 0.234 4.354 4.120 -0.000 0.000 0.299 292 V C 1.282 177.366 176.094 -0.017 0.000 1.054 292 V CA -0.151 62.135 62.300 -0.024 0.000 1.077 292 V CB 0.387 32.201 31.823 -0.015 0.000 0.972 292 V HN 0.647 nan 8.190 nan 0.000 0.484 293 V N 3.369 123.275 119.914 -0.013 0.000 2.273 293 V HA 0.373 4.493 4.120 -0.000 0.000 0.242 293 V C 1.472 177.563 176.094 -0.005 0.000 1.035 293 V CA 1.796 64.091 62.300 -0.009 0.000 1.013 293 V CB -1.454 30.365 31.823 -0.006 0.000 0.652 293 V HN 1.850 nan 8.190 nan 0.000 0.452 294 G N -0.521 108.277 108.800 -0.003 0.000 2.662 294 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 294 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 294 G C -0.747 174.154 174.900 0.002 0.000 1.271 294 G CA -0.570 44.530 45.100 -0.000 0.000 0.816 294 G HN 0.329 nan 8.290 nan 0.000 0.608 295 L N 0.778 122.003 121.223 0.004 0.000 2.483 295 L HA 0.252 4.592 4.340 -0.000 0.000 0.275 295 L C 1.377 178.253 176.870 0.011 0.000 1.220 295 L CA -0.014 54.830 54.840 0.006 0.000 0.833 295 L CB 0.288 42.351 42.059 0.007 0.000 1.102 295 L HN 0.704 nan 8.230 nan 0.000 0.490 296 E N 0.803 121.012 120.200 0.015 0.000 2.371 296 E HA 0.323 4.673 4.350 -0.000 0.000 0.257 296 E C -0.156 176.467 176.600 0.039 0.000 1.134 296 E CA -0.705 55.709 56.400 0.023 0.000 0.919 296 E CB 0.660 30.374 29.700 0.023 0.000 1.025 296 E HN 0.659 nan 8.360 nan 0.000 0.438 297 A N 1.696 124.546 122.820 0.050 0.000 2.545 297 A HA 0.125 4.445 4.320 -0.000 0.000 0.253 297 A C -0.040 177.615 177.584 0.118 0.000 1.074 297 A CA -0.288 51.799 52.037 0.083 0.000 0.760 297 A CB -0.141 18.906 19.000 0.079 0.000 1.005 297 A HN 0.322 nan 8.150 nan 0.000 0.506 298 V N 3.838 123.858 119.914 0.177 0.000 2.607 298 V HA 0.329 4.449 4.120 -0.000 0.000 0.289 298 V C 1.096 177.363 176.094 0.287 0.000 1.053 298 V CA 0.082 62.505 62.300 0.206 0.000 0.996 298 V CB 1.284 33.218 31.823 0.184 0.000 0.995 298 V HN 1.115 nan 8.190 nan 0.000 0.476 299 S N 1.806 117.639 115.700 0.221 0.000 2.600 299 S HA 0.106 4.576 4.470 -0.000 0.000 0.265 299 S C 0.401 174.957 174.600 -0.073 0.000 1.325 299 S CA -0.358 57.919 58.200 0.129 0.000 1.002 299 S CB 0.513 63.767 63.200 0.091 0.000 0.921 299 S HN 0.751 nan 8.310 nan 0.000 0.554 300 D N 0.696 121.040 120.400 -0.094 0.000 2.363 300 D HA 0.015 4.654 4.640 -0.000 0.000 0.226 300 D C 1.757 177.875 176.300 -0.304 0.000 1.020 300 D CA 0.811 54.657 54.000 -0.257 0.000 0.892 300 D CB -0.159 40.651 40.800 0.017 0.000 0.900 300 D HN 0.629 nan 8.370 nan 0.000 0.531 301 S N -0.239 115.280 115.700 -0.301 0.000 2.461 301 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 301 S C 1.147 175.420 174.600 -0.544 0.000 1.005 301 S CA 0.177 58.131 58.200 -0.410 0.000 0.942 301 S CB -0.463 62.441 63.200 -0.494 0.000 0.776 301 S HN 0.230 nan 8.310 nan 0.000 0.514 302 F N 2.515 122.279 119.950 -0.311 0.000 2.713 302 F HA 0.437 4.964 4.527 -0.000 0.000 0.294 302 F C 1.192 176.782 175.800 -0.349 0.000 1.152 302 F CA -0.527 57.315 58.000 -0.263 0.000 1.385 302 F CB -0.067 38.821 39.000 -0.186 0.000 0.981 302 F HN 0.100 nan 8.300 nan 0.000 0.514 303 S N 2.842 118.356 115.700 -0.309 0.000 2.549 303 S HA 0.117 4.587 4.470 -0.000 0.000 0.286 303 S C -1.986 172.654 174.600 0.067 0.000 1.314 303 S CA -1.288 56.840 58.200 -0.119 0.000 1.062 303 S CB 0.245 63.420 63.200 -0.042 0.000 0.865 303 S HN 0.020 nan 8.310 nan 0.000 0.498 304 P HA 0.090 nan 4.420 nan 0.000 0.276 304 P C 0.955 178.299 177.300 0.073 0.000 1.235 304 P CA -0.294 62.877 63.100 0.118 0.000 0.772 304 P CB 0.591 32.372 31.700 0.135 0.000 0.871 305 M N 1.173 120.795 119.600 0.037 0.000 2.117 305 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 305 M C 1.011 177.324 176.300 0.020 0.000 1.065 305 M CA 1.792 57.105 55.300 0.022 0.000 1.114 305 M CB -0.481 32.124 32.600 0.008 0.000 1.361 305 M HN 0.366 nan 8.290 nan 0.000 0.408 306 K N 0.669 121.074 120.400 0.010 0.000 2.535 306 K HA 0.452 4.772 4.320 -0.000 0.000 0.251 306 K C -1.880 174.706 176.600 -0.024 0.000 0.942 306 K CA -0.240 56.049 56.287 0.002 0.000 0.798 306 K CB 3.084 35.581 32.500 -0.005 0.000 1.267 306 K HN -0.170 nan 8.250 nan 0.000 0.434 307 V N 3.610 123.517 119.914 -0.012 0.000 2.357 307 V HA 0.351 4.471 4.120 -0.000 0.000 0.284 307 V C -0.424 175.655 176.094 -0.024 0.000 1.018 307 V CA -0.514 61.755 62.300 -0.052 0.000 0.841 307 V CB 1.339 33.182 31.823 0.034 0.000 0.991 307 V HN 0.707 nan 8.190 nan 0.000 0.437 308 E N 3.903 124.070 120.200 -0.054 0.000 2.265 308 E HA 0.393 4.742 4.350 -0.000 0.000 0.262 308 E C -0.986 175.597 176.600 -0.028 0.000 0.889 308 E CA -0.993 55.393 56.400 -0.025 0.000 0.789 308 E CB 1.483 31.170 29.700 -0.022 0.000 1.221 308 E HN 0.485 nan 8.360 nan 0.000 0.414 309 K N 3.265 123.665 120.400 -0.000 0.000 2.402 309 K HA 0.069 4.389 4.320 -0.000 0.000 0.285 309 K C 0.217 176.814 176.600 -0.005 0.000 1.054 309 K CA 0.207 56.498 56.287 0.005 0.000 1.001 309 K CB 0.800 33.316 32.500 0.026 0.000 0.946 309 K HN 0.314 nan 8.250 nan 0.000 0.473 310 K N 1.194 121.585 120.400 -0.014 0.000 2.760 310 K HA 0.273 4.593 4.320 -0.000 0.000 0.285 310 K C -0.381 176.211 176.600 -0.013 0.000 1.016 310 K CA -0.600 55.677 56.287 -0.016 0.000 1.087 310 K CB 0.468 32.954 32.500 -0.024 0.000 1.427 310 K HN 0.653 nan 8.250 nan 0.000 0.524 311 S N 0.995 116.685 115.700 -0.016 0.000 2.563 311 S HA -0.065 4.405 4.470 -0.000 0.000 0.294 311 S C -0.122 174.466 174.600 -0.020 0.000 1.279 311 S CA -0.512 57.679 58.200 -0.016 0.000 1.069 311 S CB 0.425 63.613 63.200 -0.019 0.000 0.828 311 S HN 0.568 nan 8.310 nan 0.000 0.497 312 D N 1.996 122.386 120.400 -0.016 0.000 2.525 312 D HA 0.340 4.979 4.640 -0.000 0.000 0.235 312 D C 1.492 177.770 176.300 -0.038 0.000 1.137 312 D CA 1.934 55.923 54.000 -0.018 0.000 0.868 312 D CB 0.040 40.833 40.800 -0.012 0.000 1.180 312 D HN 0.968 nan 8.370 nan 0.000 0.465 313 G N 1.740 110.516 108.800 -0.040 0.000 2.308 313 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.221 313 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.221 313 G C 0.047 174.917 174.900 -0.050 0.000 1.032 313 G CA 0.151 45.210 45.100 -0.068 0.000 0.623 313 G HN 0.648 nan 8.290 nan 0.000 0.506 314 V N 2.102 121.994 119.914 -0.037 0.000 2.384 314 V HA 0.696 4.816 4.120 -0.000 0.000 0.287 314 V C -0.082 175.996 176.094 -0.026 0.000 1.020 314 V CA 0.029 62.308 62.300 -0.034 0.000 0.850 314 V CB 1.628 33.429 31.823 -0.038 0.000 0.987 314 V HN 0.316 nan 8.190 nan 0.000 0.436 315 T N 4.296 118.832 114.554 -0.030 0.000 2.815 315 T HA 0.309 4.659 4.350 -0.000 0.000 0.289 315 T C -0.331 174.311 174.700 -0.097 0.000 1.000 315 T CA -0.379 61.691 62.100 -0.050 0.000 0.958 315 T CB 1.244 70.097 68.868 -0.025 0.000 0.944 315 T HN 0.809 nan 8.240 nan 0.000 0.442 316 E N 3.392 123.536 120.200 -0.095 0.000 2.259 316 E HA 0.348 4.698 4.350 -0.000 0.000 0.281 316 E C -0.825 175.681 176.600 -0.156 0.000 1.037 316 E CA -0.356 55.984 56.400 -0.100 0.000 0.854 316 E CB 0.425 30.086 29.700 -0.064 0.000 1.051 316 E HN 0.527 nan 8.360 nan 0.000 0.409 317 I N 6.320 126.797 120.570 -0.155 0.000 2.595 317 I HA 0.133 4.303 4.170 -0.000 0.000 0.275 317 I C -0.111 175.959 176.117 -0.078 0.000 1.092 317 I CA -0.484 60.714 61.300 -0.169 0.000 1.145 317 I CB 0.810 38.663 38.000 -0.244 0.000 1.276 317 I HN 0.686 nan 8.210 nan 0.000 0.497 318 D N 2.163 122.531 120.400 -0.055 0.000 4.450 318 D HA -0.358 4.282 4.640 -0.000 0.000 0.209 318 D C 1.153 177.440 176.300 -0.022 0.000 0.603 318 D CA 2.073 56.057 54.000 -0.027 0.000 1.127 318 D CB -0.510 40.285 40.800 -0.009 0.000 0.621 318 D HN 0.551 nan 8.370 nan 0.000 0.431 319 D N 1.095 121.487 120.400 -0.012 0.000 2.162 319 D HA 0.024 4.664 4.640 -0.000 0.000 0.203 319 D C 0.561 176.851 176.300 -0.017 0.000 0.967 319 D CA 0.763 54.758 54.000 -0.009 0.000 0.840 319 D CB 0.280 41.082 40.800 0.004 0.000 0.972 319 D HN 0.248 nan 8.370 nan 0.000 0.482 320 V N 0.953 120.853 119.914 -0.024 0.000 2.863 320 V HA 0.368 4.487 4.120 -0.000 0.000 0.307 320 V C 0.285 176.352 176.094 -0.045 0.000 1.061 320 V CA -0.732 61.551 62.300 -0.028 0.000 1.024 320 V CB 1.873 33.683 31.823 -0.023 0.000 1.049 320 V HN -0.027 nan 8.190 nan 0.000 0.471 321 L N 3.393 124.594 121.223 -0.038 0.000 2.349 321 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 321 L C -0.809 176.041 176.870 -0.033 0.000 0.996 321 L CA -0.574 54.240 54.840 -0.044 0.000 0.825 321 L CB 1.748 43.785 42.059 -0.037 0.000 1.243 321 L HN 0.466 nan 8.230 nan 0.000 0.412 322 L N 5.537 126.738 121.223 -0.036 0.000 2.261 322 L HA 0.495 4.834 4.340 -0.000 0.000 0.289 322 L C -0.609 176.255 176.870 -0.009 0.000 1.059 322 L CA 0.355 55.194 54.840 -0.003 0.000 0.816 322 L CB 0.422 42.503 42.059 0.036 0.000 1.191 322 L HN 0.390 nan 8.230 nan 0.000 0.431 323 I N 4.572 125.131 120.570 -0.018 0.000 2.418 323 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 323 I C 0.102 176.183 176.117 -0.059 0.000 1.008 323 I CA -0.639 60.636 61.300 -0.042 0.000 1.104 323 I CB 1.556 39.525 38.000 -0.051 0.000 1.264 323 I HN 0.545 nan 8.210 nan 0.000 0.438 324 E N 3.350 123.498 120.200 -0.087 0.000 2.414 324 E HA 0.006 4.356 4.350 -0.000 0.000 0.263 324 E C 0.081 176.552 176.600 -0.215 0.000 1.000 324 E CA 0.154 56.466 56.400 -0.147 0.000 0.914 324 E CB 0.826 30.409 29.700 -0.195 0.000 0.948 324 E HN 0.448 nan 8.360 nan 0.000 0.444 325 T N 2.741 117.158 114.554 -0.230 0.000 2.867 325 T HA -0.021 4.329 4.350 -0.000 0.000 0.297 325 T C 0.256 174.773 174.700 -0.304 0.000 0.989 325 T CA -0.087 61.887 62.100 -0.209 0.000 1.159 325 T CB 0.305 69.104 68.868 -0.115 0.000 0.928 325 T HN 0.374 nan 8.240 nan 0.000 0.538 326 Q N 3.365 123.037 119.800 -0.213 0.000 2.135 326 Q HA 0.444 4.784 4.340 -0.000 0.000 0.222 326 Q C 1.180 177.101 176.000 -0.131 0.000 0.808 326 Q CA 0.109 55.797 55.803 -0.193 0.000 1.049 326 Q CB 0.122 28.761 28.738 -0.165 0.000 1.168 326 Q HN 0.919 nan 8.270 nan 0.000 0.483 327 G N -0.413 108.307 108.800 -0.133 0.000 2.176 327 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 327 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 327 G C -0.251 174.552 174.900 -0.161 0.000 0.986 327 G CA -0.117 44.900 45.100 -0.138 0.000 0.643 327 G HN 0.313 nan 8.290 nan 0.000 0.522 328 E N 1.330 121.453 120.200 -0.128 0.000 2.214 328 E HA 0.519 4.869 4.350 -0.000 0.000 0.274 328 E C 0.691 177.220 176.600 -0.118 0.000 0.977 328 E CA -0.035 56.300 56.400 -0.109 0.000 0.827 328 E CB 1.164 30.825 29.700 -0.065 0.000 1.130 328 E HN 0.351 nan 8.360 nan 0.000 0.394 329 T N -1.001 113.485 114.554 -0.112 0.000 2.899 329 T HA 0.250 4.600 4.350 -0.000 0.000 0.295 329 T C 1.226 175.898 174.700 -0.047 0.000 1.033 329 T CA -0.190 61.858 62.100 -0.087 0.000 1.084 329 T CB 1.465 70.293 68.868 -0.066 0.000 0.979 329 T HN 0.521 nan 8.240 nan 0.000 0.532 330 A N 1.243 124.044 122.820 -0.032 0.000 1.917 330 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 330 A C 2.382 179.957 177.584 -0.015 0.000 1.182 330 A CA 2.214 54.239 52.037 -0.021 0.000 0.633 330 A CB -1.258 17.736 19.000 -0.010 0.000 0.819 330 A HN 0.918 nan 8.150 nan 0.000 0.448 331 Q N -0.274 119.521 119.800 -0.008 0.000 2.124 331 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 331 Q C 1.998 177.995 176.000 -0.004 0.000 0.977 331 Q CA 2.181 57.982 55.803 -0.003 0.000 0.850 331 Q CB -0.578 28.163 28.738 0.005 0.000 0.901 331 Q HN 0.580 nan 8.270 nan 0.000 0.429 332 A N -0.150 122.667 122.820 -0.005 0.000 1.930 332 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 332 A C 2.068 179.645 177.584 -0.011 0.000 1.175 332 A CA 1.256 53.292 52.037 -0.002 0.000 0.627 332 A CB -0.618 18.385 19.000 0.005 0.000 0.815 332 A HN 0.438 nan 8.150 nan 0.000 0.443 333 L N -0.780 120.432 121.223 -0.019 0.000 2.005 333 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 333 L C 3.136 179.994 176.870 -0.019 0.000 1.072 333 L CA 1.001 55.827 54.840 -0.024 0.000 0.744 333 L CB -0.658 41.383 42.059 -0.031 0.000 0.895 333 L HN 0.410 nan 8.230 nan 0.000 0.433 334 A N 1.027 123.837 122.820 -0.016 0.000 1.903 334 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 334 A C 2.204 179.781 177.584 -0.011 0.000 1.191 334 A CA 2.506 54.535 52.037 -0.013 0.000 0.638 334 A CB -0.983 18.012 19.000 -0.009 0.000 0.823 334 A HN 0.601 nan 8.150 nan 0.000 0.451 335 I N -3.577 116.988 120.570 -0.009 0.000 2.928 335 I HA 0.078 4.248 4.170 -0.000 0.000 0.266 335 I C 2.099 178.210 176.117 -0.010 0.000 1.234 335 I CA 1.576 62.871 61.300 -0.008 0.000 1.483 335 I CB -0.067 37.930 38.000 -0.005 0.000 1.097 335 I HN 0.204 nan 8.210 nan 0.000 0.455 336 R N 0.699 121.191 120.500 -0.012 0.000 2.173 336 R HA 0.268 4.608 4.340 -0.000 0.000 0.208 336 R C 1.714 178.004 176.300 -0.017 0.000 1.035 336 R CA 0.563 56.654 56.100 -0.015 0.000 1.004 336 R CB 0.126 30.415 30.300 -0.018 0.000 0.917 336 R HN 0.434 nan 8.270 nan 0.000 0.462 337 L N -0.064 121.149 121.223 -0.017 0.000 2.607 337 L HA 0.322 4.662 4.340 -0.000 0.000 0.228 337 L C 0.780 177.641 176.870 -0.015 0.000 1.123 337 L CA 0.280 55.110 54.840 -0.018 0.000 0.890 337 L CB 0.329 42.375 42.059 -0.021 0.000 1.103 337 L HN 0.164 nan 8.230 nan 0.000 0.468 338 A N 1.095 123.907 122.820 -0.013 0.000 2.799 338 A HA -0.240 4.080 4.320 -0.000 0.000 0.287 338 A C 0.421 177.999 177.584 -0.010 0.000 1.484 338 A CA 1.184 53.214 52.037 -0.010 0.000 0.813 338 A CB -1.623 17.371 19.000 -0.010 0.000 1.009 338 A HN 0.588 nan 8.150 nan 0.000 0.545 339 R N -1.582 118.911 120.500 -0.012 0.000 2.774 339 R HA 0.556 4.895 4.340 -0.000 0.000 0.272 339 R C -3.170 173.123 176.300 -0.012 0.000 1.000 339 R CA -2.202 53.890 56.100 -0.012 0.000 0.906 339 R CB 1.470 31.760 30.300 -0.016 0.000 1.227 339 R HN 0.089 nan 8.270 nan 0.000 0.468 340 P HA 0.076 nan 4.420 nan 0.000 0.268 340 P C -1.049 176.242 177.300 -0.014 0.000 1.204 340 P CA -0.129 62.965 63.100 -0.010 0.000 0.768 340 P CB 0.675 32.370 31.700 -0.008 0.000 0.842 341 V N 4.453 124.359 119.914 -0.012 0.000 2.588 341 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 341 V C -0.186 175.903 176.094 -0.009 0.000 1.042 341 V CA -0.651 61.640 62.300 -0.014 0.000 0.877 341 V CB 2.472 34.284 31.823 -0.019 0.000 0.996 341 V HN 0.173 nan 8.190 nan 0.000 0.425 342 V N 5.504 125.414 119.914 -0.005 0.000 2.384 342 V HA 0.452 4.572 4.120 -0.000 0.000 0.287 342 V C -0.049 176.047 176.094 0.003 0.000 1.020 342 V CA -0.619 61.684 62.300 0.005 0.000 0.850 342 V CB 1.902 33.736 31.823 0.018 0.000 0.987 342 V HN 0.594 nan 8.190 nan 0.000 0.436 343 V N 6.467 126.382 119.914 0.002 0.000 2.509 343 V HA 0.488 4.608 4.120 -0.000 0.000 0.284 343 V C -0.070 176.032 176.094 0.013 0.000 1.047 343 V CA -0.291 62.006 62.300 -0.005 0.000 0.952 343 V CB 1.725 33.538 31.823 -0.017 0.000 0.988 343 V HN 0.752 nan 8.190 nan 0.000 0.469 344 I N 3.456 124.032 120.570 0.011 0.000 2.569 344 I HA 0.569 4.739 4.170 -0.000 0.000 0.296 344 I C -1.339 174.808 176.117 0.051 0.000 1.028 344 I CA -0.493 60.830 61.300 0.039 0.000 1.082 344 I CB 2.210 40.241 38.000 0.052 0.000 1.264 344 I HN 0.691 nan 8.210 nan 0.000 0.429 345 D N 6.766 127.229 120.400 0.106 0.000 2.420 345 D HA 0.385 5.024 4.640 -0.000 0.000 0.255 345 D C -1.445 175.003 176.300 0.246 0.000 1.185 345 D CA -0.366 53.756 54.000 0.204 0.000 0.904 345 D CB 0.724 41.636 40.800 0.185 0.000 1.102 345 D HN 0.578 nan 8.370 nan 0.000 0.534 346 K N 2.375 122.981 120.400 0.343 0.000 2.502 346 K HA 0.596 4.916 4.320 -0.000 0.000 0.257 346 K C -0.675 176.125 176.600 0.334 0.000 0.938 346 K CA -0.833 55.610 56.287 0.259 0.000 0.819 346 K CB 2.253 34.856 32.500 0.172 0.000 1.333 346 K HN 0.159 nan 8.250 nan 0.000 0.434 347 M N 0.518 120.223 119.600 0.174 0.000 3.114 347 M HA 0.347 4.827 4.480 -0.000 0.000 0.152 347 M C 1.101 177.468 176.300 0.113 0.000 1.756 347 M CA 0.329 55.710 55.300 0.136 0.000 1.654 347 M CB 0.235 32.853 32.600 0.031 0.000 0.853 347 M HN 0.805 nan 8.290 nan 0.000 0.596 348 A N -0.100 122.772 122.820 0.088 0.000 2.138 348 A HA 0.471 4.790 4.320 -0.000 0.000 0.203 348 A C 1.064 178.675 177.584 0.046 0.000 1.286 348 A CA 0.473 52.548 52.037 0.065 0.000 0.929 348 A CB -0.523 18.515 19.000 0.063 0.000 0.975 348 A HN 0.543 nan 8.150 nan 0.000 0.480 349 G N -0.509 108.321 108.800 0.050 0.000 2.651 349 G HA2 0.341 4.300 3.960 -0.000 0.000 0.260 349 G HA3 0.341 4.300 3.960 -0.000 0.000 0.260 349 G C 0.526 175.444 174.900 0.031 0.000 1.216 349 G CA -0.122 44.999 45.100 0.036 0.000 0.913 349 G HN 0.267 nan 8.290 nan 0.000 0.535 350 K N -1.207 119.205 120.400 0.019 0.000 2.097 350 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 350 K C 1.089 177.699 176.600 0.016 0.000 1.049 350 K CA 0.339 56.632 56.287 0.010 0.000 0.933 350 K CB -0.109 32.392 32.500 0.001 0.000 0.717 350 K HN 0.190 nan 8.250 nan 0.000 0.442 351 V N 1.851 121.781 119.914 0.027 0.000 2.521 351 V HA 0.066 4.186 4.120 -0.000 0.000 0.286 351 V C -0.119 176.002 176.094 0.046 0.000 1.034 351 V CA -0.061 62.258 62.300 0.032 0.000 1.045 351 V CB 1.272 33.115 31.823 0.034 0.000 0.974 351 V HN -0.111 nan 8.190 nan 0.000 0.480 352 V N 4.268 124.207 119.914 0.042 0.000 2.789 352 V HA 0.623 4.743 4.120 -0.000 0.000 0.311 352 V C 0.034 176.159 176.094 0.052 0.000 1.073 352 V CA -0.491 61.843 62.300 0.056 0.000 0.921 352 V CB 2.775 34.625 31.823 0.045 0.000 1.009 352 V HN 0.993 nan 8.190 nan 0.000 0.426 353 T N 2.703 117.297 114.554 0.068 0.000 2.888 353 T HA 0.883 5.233 4.350 -0.000 0.000 0.284 353 T C -0.658 174.077 174.700 0.059 0.000 1.017 353 T CA -0.559 61.576 62.100 0.058 0.000 1.022 353 T CB 1.618 70.522 68.868 0.060 0.000 1.013 353 T HN 0.799 nan 8.240 nan 0.000 0.465 354 I N -0.872 119.726 120.570 0.045 0.000 2.934 354 I HA 0.963 5.133 4.170 -0.000 0.000 0.306 354 I C -1.018 175.120 176.117 0.034 0.000 1.110 354 I CA -1.682 59.642 61.300 0.041 0.000 1.019 354 I CB 2.053 40.075 38.000 0.037 0.000 1.227 354 I HN 0.967 nan 8.210 nan 0.000 0.434 355 A N 2.962 125.800 122.820 0.030 0.000 2.427 355 A HA 0.906 5.226 4.320 -0.000 0.000 0.298 355 A C -0.670 176.923 177.584 0.015 0.000 1.036 355 A CA -0.431 51.621 52.037 0.025 0.000 0.701 355 A CB 1.397 20.419 19.000 0.036 0.000 1.250 355 A HN 1.285 nan 8.150 nan 0.000 0.412 356 A N 1.424 124.250 122.820 0.010 0.000 2.309 356 A HA 0.745 5.065 4.320 -0.000 0.000 0.298 356 A C 0.644 178.230 177.584 0.004 0.000 1.165 356 A CA 0.167 52.206 52.037 0.004 0.000 0.821 356 A CB 0.427 19.425 19.000 -0.002 0.000 1.102 356 A HN 2.292 nan 8.150 nan 0.000 0.500 357 A N 1.417 124.237 122.820 -0.000 0.000 2.425 357 A HA 0.503 4.823 4.320 -0.000 0.000 0.249 357 A C 1.457 179.042 177.584 0.000 0.000 1.084 357 A CA 0.257 52.294 52.037 -0.000 0.000 0.781 357 A CB -0.076 18.922 19.000 -0.004 0.000 1.019 357 A HN 1.987 nan 8.150 nan 0.000 0.490 358 A N 2.241 125.063 122.820 0.003 0.000 1.978 358 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 358 A C 1.893 179.477 177.584 0.001 0.000 1.170 358 A CA 1.883 53.922 52.037 0.003 0.000 0.636 358 A CB -0.571 18.432 19.000 0.006 0.000 0.810 358 A HN 1.238 nan 8.150 nan 0.000 0.448 359 V N 0.524 120.438 119.914 -0.000 0.000 3.217 359 V HA -0.048 4.071 4.120 -0.000 0.000 0.264 359 V C 0.141 176.234 176.094 -0.002 0.000 1.135 359 V CA 0.365 62.664 62.300 -0.001 0.000 1.142 359 V CB -1.116 30.706 31.823 -0.001 0.000 0.754 359 V HN 0.521 nan 8.190 nan 0.000 0.484 360 N N 1.806 120.504 118.700 -0.004 0.000 2.412 360 N HA 0.134 4.874 4.740 -0.000 0.000 0.254 360 N C -2.474 173.032 175.510 -0.006 0.000 1.232 360 N CA -0.800 52.247 53.050 -0.006 0.000 0.880 360 N CB 0.317 38.799 38.487 -0.009 0.000 1.076 360 N HN 0.279 nan 8.380 nan 0.000 0.458 361 P HA 0.133 nan 4.420 nan 0.000 0.271 361 P C 0.005 177.295 177.300 -0.015 0.000 1.218 361 P CA -0.235 62.863 63.100 -0.003 0.000 0.780 361 P CB 0.663 32.368 31.700 0.008 0.000 0.901 362 D N -0.049 120.337 120.400 -0.023 0.000 2.263 362 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 362 D C 1.688 177.923 176.300 -0.108 0.000 0.971 362 D CA 1.417 55.384 54.000 -0.055 0.000 0.867 362 D CB -0.061 40.709 40.800 -0.050 0.000 0.929 362 D HN 0.337 nan 8.370 nan 0.000 0.492 363 S N -0.289 115.370 115.700 -0.068 0.000 2.387 363 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 363 S C 2.167 176.730 174.600 -0.062 0.000 1.026 363 S CA 0.701 58.849 58.200 -0.088 0.000 0.972 363 S CB -0.287 62.994 63.200 0.134 0.000 0.814 363 S HN 0.220 nan 8.310 nan 0.000 0.477 364 A N 2.093 124.903 122.820 -0.015 0.000 1.877 364 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 364 A C 2.419 179.991 177.584 -0.020 0.000 1.186 364 A CA 2.088 54.124 52.037 -0.002 0.000 0.620 364 A CB -1.726 17.275 19.000 0.002 0.000 0.822 364 A HN 0.526 nan 8.150 nan 0.000 0.443 365 T N -0.316 114.214 114.554 -0.039 0.000 2.720 365 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 365 T C 2.040 176.710 174.700 -0.051 0.000 1.037 365 T CA 1.609 63.687 62.100 -0.036 0.000 1.144 365 T CB -0.262 68.582 68.868 -0.040 0.000 0.864 365 T HN 0.474 nan 8.240 nan 0.000 0.444 366 R N 0.732 121.150 120.500 -0.137 0.000 2.120 366 R HA -0.014 4.326 4.340 -0.000 0.000 0.234 366 R C 2.522 178.786 176.300 -0.060 0.000 1.123 366 R CA 1.054 57.032 56.100 -0.202 0.000 0.975 366 R CB -0.106 29.846 30.300 -0.580 0.000 0.866 366 R HN 0.404 nan 8.270 nan 0.000 0.446 367 K N 0.266 120.664 120.400 -0.002 0.000 2.026 367 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 367 K C 2.146 178.861 176.600 0.191 0.000 1.048 367 K CA 1.515 57.883 56.287 0.136 0.000 0.929 367 K CB -0.167 32.398 32.500 0.109 0.000 0.713 367 K HN 0.117 nan 8.250 nan 0.000 0.439 368 A N 1.325 124.215 122.820 0.116 0.000 1.902 368 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 368 A C 2.140 179.836 177.584 0.186 0.000 1.181 368 A CA 1.360 53.486 52.037 0.148 0.000 0.623 368 A CB -0.638 18.409 19.000 0.079 0.000 0.818 368 A HN 0.188 nan 8.150 nan 0.000 0.443 369 I N -2.073 118.569 120.570 0.120 0.000 2.127 369 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 369 I C 2.453 178.648 176.117 0.130 0.000 1.075 369 I CA 1.902 63.258 61.300 0.094 0.000 1.334 369 I CB -0.508 37.519 38.000 0.046 0.000 1.040 369 I HN 0.523 nan 8.210 nan 0.000 0.405 370 Y N 0.906 121.245 120.300 0.064 0.000 2.081 370 Y HA -0.415 4.135 4.550 -0.000 0.000 0.280 370 Y C 2.627 178.590 175.900 0.105 0.000 1.163 370 Y CA 2.003 60.156 58.100 0.087 0.000 1.135 370 Y CB -0.970 37.566 38.460 0.127 0.000 0.970 370 Y HN 0.239 nan 8.280 nan 0.000 0.498 371 Y N 0.055 120.382 120.300 0.046 0.000 2.151 371 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 371 Y C 2.032 177.878 175.900 -0.089 0.000 1.166 371 Y CA 2.174 60.254 58.100 -0.034 0.000 1.163 371 Y CB -0.455 38.039 38.460 0.056 0.000 0.974 371 Y HN 0.215 nan 8.280 nan 0.000 0.511 372 L N -0.207 120.913 121.223 -0.171 0.000 2.131 372 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 372 L C 2.577 179.319 176.870 -0.214 0.000 1.087 372 L CA 1.206 55.909 54.840 -0.229 0.000 0.767 372 L CB -0.566 41.462 42.059 -0.051 0.000 0.917 372 L HN 0.273 nan 8.230 nan 0.000 0.441 373 Q N -0.459 119.236 119.800 -0.175 0.000 2.124 373 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 373 Q C 2.157 178.025 176.000 -0.219 0.000 0.977 373 Q CA 1.357 57.065 55.803 -0.159 0.000 0.850 373 Q CB -0.027 28.642 28.738 -0.114 0.000 0.901 373 Q HN 0.336 nan 8.270 nan 0.000 0.429 374 Q N 0.492 120.084 119.800 -0.347 0.000 2.369 374 Q HA -0.087 4.253 4.340 -0.000 0.000 0.206 374 Q C 1.147 176.999 176.000 -0.246 0.000 0.963 374 Q CA 1.058 56.664 55.803 -0.329 0.000 0.894 374 Q CB 0.261 28.722 28.738 -0.461 0.000 0.965 374 Q HN 0.342 nan 8.270 nan 0.000 0.475 375 Q N -1.613 118.020 119.800 -0.279 0.000 2.444 375 Q HA 0.149 4.489 4.340 -0.000 0.000 0.206 375 Q C 0.393 176.308 176.000 -0.140 0.000 0.948 375 Q CA 0.498 56.168 55.803 -0.222 0.000 0.946 375 Q CB 0.445 29.012 28.738 -0.285 0.000 1.027 375 Q HN 0.454 nan 8.270 nan 0.000 0.513 376 G N 1.287 110.011 108.800 -0.128 0.000 2.140 376 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.211 376 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.211 376 G C -0.361 174.501 174.900 -0.064 0.000 1.013 376 G CA -0.243 44.808 45.100 -0.083 0.000 0.705 376 G HN 0.144 nan 8.290 nan 0.000 0.508 377 K N 0.659 121.017 120.400 -0.071 0.000 2.164 377 K HA 0.579 4.899 4.320 -0.000 0.000 0.258 377 K C 0.229 176.810 176.600 -0.031 0.000 0.951 377 K CA -0.471 55.790 56.287 -0.044 0.000 0.844 377 K CB 1.228 33.702 32.500 -0.043 0.000 1.099 377 K HN 0.085 nan 8.250 nan 0.000 0.435 378 T N 1.987 116.533 114.554 -0.014 0.000 2.779 378 T HA 0.139 4.488 4.350 -0.000 0.000 0.296 378 T C -0.136 174.565 174.700 0.001 0.000 0.938 378 T CA -0.525 61.572 62.100 -0.006 0.000 1.119 378 T CB 0.298 69.165 68.868 -0.001 0.000 0.891 378 T HN 0.122 nan 8.240 nan 0.000 0.526 379 V N 5.845 125.760 119.914 0.001 0.000 2.370 379 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 379 V C 0.010 176.110 176.094 0.011 0.000 1.029 379 V CA -0.723 61.583 62.300 0.009 0.000 0.870 379 V CB 0.965 32.794 31.823 0.009 0.000 0.984 379 V HN 0.734 nan 8.190 nan 0.000 0.451 380 L N 4.911 126.144 121.223 0.016 0.000 2.325 380 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 380 L C -0.074 176.805 176.870 0.015 0.000 1.004 380 L CA -0.225 54.623 54.840 0.013 0.000 0.823 380 L CB 1.793 43.860 42.059 0.013 0.000 1.236 380 L HN 0.616 nan 8.230 nan 0.000 0.415 381 Q N 4.582 124.387 119.800 0.009 0.000 2.256 381 Q HA 0.640 4.980 4.340 -0.000 0.000 0.254 381 Q C -0.797 175.206 176.000 0.005 0.000 0.916 381 Q CA -0.374 55.434 55.803 0.009 0.000 0.932 381 Q CB 1.761 30.502 28.738 0.004 0.000 1.207 381 Q HN 0.657 nan 8.270 nan 0.000 0.426 382 I N -0.907 119.668 120.570 0.010 0.000 3.466 382 I HA 0.835 5.005 4.170 -0.000 0.000 0.311 382 I C -0.784 175.339 176.117 0.011 0.000 1.155 382 I CA -1.405 59.896 61.300 0.001 0.000 0.959 382 I CB 1.473 39.472 38.000 -0.001 0.000 1.332 382 I HN 0.569 nan 8.210 nan 0.000 0.483 383 A N 1.080 123.902 122.820 0.002 0.000 2.366 383 A HA 0.167 4.487 4.320 -0.000 0.000 0.249 383 A C -0.150 177.480 177.584 0.078 0.000 1.084 383 A CA -0.017 52.037 52.037 0.027 0.000 0.794 383 A CB -0.011 18.994 19.000 0.008 0.000 1.034 383 A HN 0.770 nan 8.150 nan 0.000 0.491 384 D N 0.507 120.951 120.400 0.073 0.000 2.482 384 D HA 0.122 4.762 4.640 -0.000 0.000 0.244 384 D C -1.163 175.207 176.300 0.116 0.000 1.242 384 D CA 0.669 54.711 54.000 0.070 0.000 1.097 384 D CB -0.694 40.128 40.800 0.037 0.000 1.109 384 D HN 0.336 nan 8.370 nan 0.000 0.510 385 Y N 3.303 123.585 120.300 -0.031 0.000 2.342 385 Y HA 0.393 4.943 4.550 -0.000 0.000 0.338 385 Y C -2.330 173.528 175.900 -0.070 0.000 0.965 385 Y CA -3.032 55.049 58.100 -0.031 0.000 1.159 385 Y CB 1.294 39.755 38.460 0.003 0.000 1.157 385 Y HN 0.186 nan 8.280 nan 0.000 0.486 386 P HA 0.067 nan 4.420 nan 0.000 0.258 386 P C 0.695 177.737 177.300 -0.429 0.000 1.172 386 P CA 2.235 65.038 63.100 -0.496 0.000 0.762 386 P CB 0.425 31.663 31.700 -0.770 0.000 0.764 387 G N 2.911 111.570 108.800 -0.235 0.000 2.220 387 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.269 387 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.269 387 G C 0.605 175.498 174.900 -0.013 0.000 0.977 387 G CA 0.414 45.440 45.100 -0.125 0.000 0.634 387 G HN 0.492 nan 8.290 nan 0.000 0.539 388 M N -2.512 117.094 119.600 0.010 0.000 7.319 388 M HA -0.263 4.217 4.480 -0.000 0.000 0.311 388 M C 1.795 178.244 176.300 0.248 0.000 0.480 388 M CA 2.411 57.828 55.300 0.194 0.000 1.311 388 M CB -1.693 30.991 32.600 0.140 0.000 0.421 388 M HN 0.344 nan 8.290 nan 0.000 0.799 389 L N -1.492 119.841 121.223 0.183 0.000 2.614 389 L HA 0.216 4.556 4.340 -0.000 0.000 0.185 389 L C 2.362 179.279 176.870 0.078 0.000 1.098 389 L CA 0.240 55.156 54.840 0.128 0.000 0.852 389 L CB -0.238 41.863 42.059 0.070 0.000 1.213 389 L HN 0.550 nan 8.230 nan 0.000 0.491 390 I N -0.524 120.098 120.570 0.088 0.000 2.113 390 I HA -0.268 3.902 4.170 -0.000 0.000 0.238 390 I C 2.283 178.372 176.117 -0.046 0.000 1.070 390 I CA 2.046 63.356 61.300 0.017 0.000 1.332 390 I CB -0.262 37.746 38.000 0.013 0.000 1.044 390 I HN 0.270 nan 8.210 nan 0.000 0.402 391 W N 0.878 122.164 121.300 -0.024 0.000 2.381 391 W HA -0.109 4.551 4.660 -0.000 0.000 0.301 391 W C 2.874 179.354 176.519 -0.066 0.000 1.205 391 W CA 1.145 58.451 57.345 -0.065 0.000 1.285 391 W CB -0.266 29.160 29.460 -0.056 0.000 1.133 391 W HN -0.010 nan 8.180 nan 0.000 0.521 392 R N -0.160 120.446 120.500 0.177 0.000 2.083 392 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 392 R C 2.000 178.340 176.300 0.066 0.000 1.137 392 R CA 2.389 58.546 56.100 0.095 0.000 0.951 392 R CB -0.698 29.634 30.300 0.053 0.000 0.851 392 R HN 0.027 nan 8.270 nan 0.000 0.434 393 T N 0.114 114.681 114.554 0.022 0.000 2.674 393 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 393 T C 1.831 176.496 174.700 -0.058 0.000 1.039 393 T CA 1.543 63.629 62.100 -0.024 0.000 1.150 393 T CB -0.195 68.621 68.868 -0.087 0.000 0.864 393 T HN 0.043 nan 8.240 nan 0.000 0.427 394 V N 1.767 121.590 119.914 -0.152 0.000 2.343 394 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 394 V C 2.908 178.864 176.094 -0.229 0.000 1.051 394 V CA 1.595 63.702 62.300 -0.322 0.000 1.036 394 V CB -1.278 30.092 31.823 -0.755 0.000 0.654 394 V HN 0.529 nan 8.190 nan 0.000 0.451 395 A N -0.331 122.424 122.820 -0.108 0.000 1.883 395 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 395 A C 2.242 179.852 177.584 0.042 0.000 1.186 395 A CA 2.191 54.233 52.037 0.008 0.000 0.624 395 A CB -0.481 18.582 19.000 0.105 0.000 0.822 395 A HN 0.412 nan 8.150 nan 0.000 0.444 396 M N -0.592 119.039 119.600 0.051 0.000 2.175 396 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 396 M C 2.164 178.491 176.300 0.045 0.000 1.063 396 M CA 1.204 56.535 55.300 0.051 0.000 1.119 396 M CB -1.101 31.532 32.600 0.056 0.000 1.377 396 M HN 0.444 nan 8.290 nan 0.000 0.415 397 I N -0.073 120.525 120.570 0.045 0.000 2.226 397 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 397 I C 2.276 178.462 176.117 0.116 0.000 1.100 397 I CA 1.231 62.591 61.300 0.100 0.000 1.374 397 I CB -0.372 37.697 38.000 0.115 0.000 1.057 397 I HN 0.187 nan 8.210 nan 0.000 0.413 398 I N 0.666 121.278 120.570 0.070 0.000 2.252 398 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 398 I C 2.326 178.536 176.117 0.155 0.000 1.102 398 I CA 1.214 62.589 61.300 0.125 0.000 1.385 398 I CB -0.459 37.592 38.000 0.084 0.000 1.064 398 I HN 0.269 nan 8.210 nan 0.000 0.414 399 N N 0.866 119.633 118.700 0.113 0.000 2.120 399 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 399 N C 1.783 177.335 175.510 0.070 0.000 1.024 399 N CA 1.434 54.539 53.050 0.091 0.000 0.852 399 N CB -0.042 38.481 38.487 0.060 0.000 1.003 399 N HN 0.173 nan 8.380 nan 0.000 0.424 400 E N -0.044 120.198 120.200 0.069 0.000 2.077 400 E HA 0.033 4.382 4.350 -0.000 0.000 0.193 400 E C 1.745 178.420 176.600 0.126 0.000 0.989 400 E CA 1.249 57.697 56.400 0.082 0.000 0.800 400 E CB -0.470 29.294 29.700 0.107 0.000 0.746 400 E HN 0.412 nan 8.360 nan 0.000 0.452 401 A N 0.088 122.997 122.820 0.149 0.000 1.930 401 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 401 A C 2.233 179.898 177.584 0.135 0.000 1.175 401 A CA 1.122 53.255 52.037 0.160 0.000 0.627 401 A CB -0.628 18.487 19.000 0.191 0.000 0.815 401 A HN 0.297 nan 8.150 nan 0.000 0.443 402 L N -0.640 120.657 121.223 0.123 0.000 2.083 402 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 402 L C 2.374 179.277 176.870 0.055 0.000 1.083 402 L CA 1.750 56.634 54.840 0.074 0.000 0.752 402 L CB -0.510 41.578 42.059 0.048 0.000 0.899 402 L HN 0.446 nan 8.230 nan 0.000 0.433 403 D N -0.018 120.419 120.400 0.062 0.000 2.117 403 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 403 D C 2.169 178.521 176.300 0.086 0.000 0.987 403 D CA 1.347 55.380 54.000 0.056 0.000 0.829 403 D CB 0.124 40.946 40.800 0.036 0.000 0.961 403 D HN 0.240 nan 8.370 nan 0.000 0.460 404 A N -0.091 122.797 122.820 0.113 0.000 1.972 404 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 404 A C 2.107 179.763 177.584 0.119 0.000 1.169 404 A CA 1.219 53.339 52.037 0.139 0.000 0.635 404 A CB -0.783 18.313 19.000 0.160 0.000 0.810 404 A HN 0.388 nan 8.150 nan 0.000 0.446 405 L N 0.495 121.776 121.223 0.097 0.000 2.027 405 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 405 L C 2.689 179.598 176.870 0.066 0.000 1.074 405 L CA 2.735 57.622 54.840 0.078 0.000 0.745 405 L CB -0.789 41.308 42.059 0.063 0.000 0.898 405 L HN 0.698 nan 8.230 nan 0.000 0.433 406 Q N -1.687 118.145 119.800 0.053 0.000 2.378 406 Q HA -0.113 4.227 4.340 -0.000 0.000 0.205 406 Q C 1.181 177.218 176.000 0.061 0.000 0.954 406 Q CA 0.822 56.650 55.803 0.042 0.000 0.901 406 Q CB -0.187 28.564 28.738 0.020 0.000 0.981 406 Q HN 0.275 nan 8.270 nan 0.000 0.483 407 K N 0.473 120.924 120.400 0.086 0.000 2.444 407 K HA 0.118 4.438 4.320 -0.000 0.000 0.193 407 K C 0.784 177.456 176.600 0.120 0.000 1.024 407 K CA 0.653 57.002 56.287 0.104 0.000 1.077 407 K CB 0.408 32.988 32.500 0.134 0.000 0.833 407 K HN 0.472 nan 8.250 nan 0.000 0.517 408 G N 1.455 110.329 108.800 0.123 0.000 2.221 408 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.265 408 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.265 408 G C 0.921 175.977 174.900 0.260 0.000 1.041 408 G CA 0.456 45.653 45.100 0.162 0.000 0.807 408 G HN 0.153 nan 8.290 nan 0.000 0.502 409 V N -0.777 119.261 119.914 0.206 0.000 2.307 409 V HA 0.357 4.477 4.120 -0.000 0.000 0.245 409 V C 1.722 177.871 176.094 0.092 0.000 1.045 409 V CA 2.781 65.205 62.300 0.206 0.000 1.024 409 V CB -0.451 31.485 31.823 0.187 0.000 0.651 409 V HN 1.809 nan 8.190 nan 0.000 0.449 410 A N -0.838 122.025 122.820 0.071 0.000 2.586 410 A HA 0.636 4.956 4.320 -0.000 0.000 0.290 410 A C -0.164 177.441 177.584 0.035 0.000 1.086 410 A CA 0.113 52.159 52.037 0.015 0.000 0.665 410 A CB 1.006 20.022 19.000 0.027 0.000 1.279 410 A HN 0.315 nan 8.150 nan 0.000 0.423 411 S N -0.424 115.286 115.700 0.016 0.000 2.600 411 S HA 0.281 4.751 4.470 -0.000 0.000 0.265 411 S C 0.912 175.540 174.600 0.045 0.000 1.325 411 S CA 0.744 58.961 58.200 0.028 0.000 1.002 411 S CB 1.051 64.259 63.200 0.014 0.000 0.921 411 S HN 1.026 nan 8.310 nan 0.000 0.554 412 E N 1.207 121.439 120.200 0.054 0.000 2.038 412 E HA -0.326 4.024 4.350 -0.000 0.000 0.195 412 E C 2.157 178.800 176.600 0.072 0.000 1.000 412 E CA 1.924 58.368 56.400 0.074 0.000 0.803 412 E CB -0.438 29.310 29.700 0.081 0.000 0.750 412 E HN 0.908 nan 8.360 nan 0.000 0.448 413 Q N -0.038 119.794 119.800 0.053 0.000 2.124 413 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 413 Q C 1.516 177.536 176.000 0.032 0.000 0.977 413 Q CA 1.630 57.459 55.803 0.043 0.000 0.850 413 Q CB -0.135 28.621 28.738 0.029 0.000 0.901 413 Q HN 0.224 nan 8.270 nan 0.000 0.429 414 D N 1.096 121.511 120.400 0.025 0.000 2.117 414 D HA -0.052 4.588 4.640 -0.000 0.000 0.198 414 D C 1.945 178.263 176.300 0.031 0.000 0.982 414 D CA 0.907 54.916 54.000 0.015 0.000 0.828 414 D CB -0.106 40.695 40.800 0.002 0.000 0.967 414 D HN 0.296 nan 8.370 nan 0.000 0.464 415 I N 0.979 121.582 120.570 0.055 0.000 2.127 415 I HA -0.275 3.895 4.170 -0.000 0.000 0.241 415 I C 1.898 178.060 176.117 0.074 0.000 1.075 415 I CA 1.221 62.568 61.300 0.078 0.000 1.334 415 I CB -0.108 37.954 38.000 0.104 0.000 1.040 415 I HN -0.117 nan 8.210 nan 0.000 0.405 416 D N 0.190 120.639 120.400 0.081 0.000 2.123 416 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 416 D C 2.250 178.569 176.300 0.032 0.000 0.992 416 D CA 1.536 55.585 54.000 0.081 0.000 0.833 416 D CB -0.304 40.550 40.800 0.090 0.000 0.954 416 D HN 0.252 nan 8.370 nan 0.000 0.455 417 T N 0.118 114.679 114.554 0.011 0.000 2.708 417 T HA -0.107 4.242 4.350 -0.000 0.000 0.266 417 T C 1.961 176.631 174.700 -0.050 0.000 1.037 417 T CA 1.483 63.570 62.100 -0.022 0.000 1.146 417 T CB -0.337 68.519 68.868 -0.020 0.000 0.865 417 T HN 0.188 nan 8.240 nan 0.000 0.435 418 A N 1.601 124.400 122.820 -0.036 0.000 1.933 418 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 418 A C 2.207 179.702 177.584 -0.148 0.000 1.175 418 A CA 1.358 53.353 52.037 -0.069 0.000 0.628 418 A CB -0.480 18.522 19.000 0.003 0.000 0.814 418 A HN 0.315 nan 8.150 nan 0.000 0.444 419 M N -0.951 118.581 119.600 -0.113 0.000 2.288 419 M HA 0.064 4.544 4.480 -0.000 0.000 0.266 419 M C 2.051 178.204 176.300 -0.244 0.000 1.072 419 M CA 1.014 56.177 55.300 -0.228 0.000 1.132 419 M CB -1.239 31.328 32.600 -0.054 0.000 1.386 419 M HN 0.379 nan 8.290 nan 0.000 0.432 420 R N 0.069 120.494 120.500 -0.125 0.000 2.092 420 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 420 R C 1.951 178.158 176.300 -0.154 0.000 1.119 420 R CA 1.048 57.075 56.100 -0.122 0.000 0.970 420 R CB -0.058 30.184 30.300 -0.097 0.000 0.864 420 R HN 0.340 nan 8.270 nan 0.000 0.440 421 L N -2.091 119.028 121.223 -0.173 0.000 2.515 421 L HA 0.196 4.536 4.340 -0.000 0.000 0.223 421 L C 2.123 178.828 176.870 -0.275 0.000 1.079 421 L CA 0.291 55.025 54.840 -0.177 0.000 0.857 421 L CB 0.293 42.275 42.059 -0.129 0.000 1.050 421 L HN 0.246 nan 8.230 nan 0.000 0.476 422 G N 0.050 108.607 108.800 -0.406 0.000 2.459 422 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.213 422 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.213 422 G C 1.145 175.727 174.900 -0.530 0.000 1.155 422 G CA 1.149 45.819 45.100 -0.717 0.000 0.811 422 G HN 0.236 nan 8.290 nan 0.000 0.534 423 V N -3.557 116.103 119.914 -0.424 0.000 3.337 423 V HA 0.313 4.433 4.120 -0.000 0.000 0.307 423 V C 0.476 176.449 176.094 -0.201 0.000 1.505 423 V CA -0.215 61.889 62.300 -0.327 0.000 1.072 423 V CB -0.704 30.815 31.823 -0.506 0.000 0.929 423 V HN 0.301 nan 8.190 nan 0.000 0.455 424 N N 0.312 118.902 118.700 -0.183 0.000 2.735 424 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 424 N C -0.640 174.886 175.510 0.026 0.000 1.083 424 N CA 0.776 53.782 53.050 -0.073 0.000 0.703 424 N CB -1.192 37.278 38.487 -0.028 0.000 1.005 424 N HN 0.598 nan 8.380 nan 0.000 0.550 425 Y N 0.767 120.979 120.300 -0.146 0.000 2.480 425 Y HA 0.081 4.631 4.550 -0.000 0.000 0.338 425 Y C -0.569 175.085 175.900 -0.410 0.000 1.220 425 Y CA -1.969 55.982 58.100 -0.249 0.000 1.430 425 Y CB -0.304 38.089 38.460 -0.112 0.000 1.311 425 Y HN 0.030 nan 8.280 nan 0.000 0.575 426 P HA -0.151 nan 4.420 nan 0.000 0.218 426 P C -0.691 175.988 177.300 -1.034 0.000 1.149 426 P CA 1.755 64.399 63.100 -0.760 0.000 0.817 426 P CB 0.363 31.534 31.700 -0.882 0.000 0.785 427 Y N -1.408 118.444 120.300 -0.746 0.000 2.553 427 Y HA 0.574 5.124 4.550 -0.000 0.000 0.347 427 Y C 1.041 176.834 175.900 -0.179 0.000 1.019 427 Y CA -1.281 56.485 58.100 -0.555 0.000 1.032 427 Y CB 1.042 38.938 38.460 -0.939 0.000 1.284 427 Y HN -0.239 nan 8.280 nan 0.000 0.466 428 G N 2.693 111.553 108.800 0.101 0.000 2.343 428 G HA2 0.231 4.191 3.960 -0.000 0.000 0.254 428 G HA3 0.231 4.191 3.960 -0.000 0.000 0.254 428 G C -1.782 173.291 174.900 0.289 0.000 1.277 428 G CA -0.964 44.239 45.100 0.172 0.000 0.909 428 G HN 0.408 nan 8.290 nan 0.000 0.502 429 P HA -0.197 nan 4.420 nan 0.000 0.216 429 P C 2.003 179.493 177.300 0.317 0.000 1.154 429 P CA 1.026 64.357 63.100 0.386 0.000 0.865 429 P CB 0.236 32.127 31.700 0.318 0.000 0.789 430 L N -0.815 120.584 121.223 0.293 0.000 2.056 430 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 430 L C 2.812 179.865 176.870 0.306 0.000 1.078 430 L CA 1.650 56.704 54.840 0.356 0.000 0.749 430 L CB -1.359 40.875 42.059 0.292 0.000 0.901 430 L HN -0.063 nan 8.230 nan 0.000 0.433 431 A N -0.600 122.347 122.820 0.212 0.000 1.902 431 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 431 A C 2.091 179.710 177.584 0.058 0.000 1.181 431 A CA 1.305 53.418 52.037 0.127 0.000 0.623 431 A CB -0.957 18.104 19.000 0.102 0.000 0.818 431 A HN 0.594 nan 8.150 nan 0.000 0.443 432 W N 0.786 122.008 121.300 -0.130 0.000 2.338 432 W HA -0.114 4.546 4.660 -0.000 0.000 0.304 432 W C 2.318 178.620 176.519 -0.362 0.000 1.212 432 W CA 1.459 58.632 57.345 -0.288 0.000 1.264 432 W CB -1.069 28.271 29.460 -0.199 0.000 1.142 432 W HN 0.308 nan 8.180 nan 0.000 0.512 433 G N -0.157 108.545 108.800 -0.163 0.000 2.432 433 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.219 433 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.219 433 G C 1.684 175.775 174.900 -1.348 0.000 1.135 433 G CA 1.546 46.237 45.100 -0.681 0.000 0.767 433 G HN 0.350 nan 8.290 nan 0.000 0.550 434 A N 0.087 122.280 122.820 -1.045 0.000 1.929 434 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 434 A C 2.251 179.581 177.584 -0.423 0.000 1.176 434 A CA 1.835 53.394 52.037 -0.797 0.000 0.628 434 A CB -0.436 18.503 19.000 -0.102 0.000 0.816 434 A HN 0.438 nan 8.150 nan 0.000 0.444 435 Q N -0.191 119.447 119.800 -0.270 0.000 2.050 435 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 435 Q C 1.863 177.779 176.000 -0.140 0.000 0.980 435 Q CA 1.562 57.263 55.803 -0.171 0.000 0.840 435 Q CB -0.203 28.431 28.738 -0.173 0.000 0.898 435 Q HN 0.665 nan 8.270 nan 0.000 0.424 436 L N -0.296 120.831 121.223 -0.161 0.000 2.313 436 L HA 0.126 4.466 4.340 -0.000 0.000 0.214 436 L C 0.879 177.710 176.870 -0.065 0.000 1.119 436 L CA 0.475 55.282 54.840 -0.055 0.000 0.809 436 L CB -0.227 41.775 42.059 -0.094 0.000 0.933 436 L HN 0.444 nan 8.230 nan 0.000 0.449 437 G N -1.577 107.064 108.800 -0.267 0.000 3.209 437 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 437 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 437 G C -0.299 174.511 174.900 -0.149 0.000 1.065 437 G CA -0.457 44.516 45.100 -0.211 0.000 0.812 437 G HN 0.245 nan 8.290 nan 0.000 0.573 438 W N 0.480 121.832 121.300 0.087 0.000 2.418 438 W HA 0.015 4.675 4.660 -0.000 0.000 0.292 438 W C 2.834 179.387 176.519 0.057 0.000 1.213 438 W CA 1.291 58.679 57.345 0.072 0.000 1.283 438 W CB -0.068 29.435 29.460 0.071 0.000 1.119 438 W HN 0.743 nan 8.180 nan 0.000 0.542 439 Q N 0.287 120.241 119.800 0.258 0.000 2.167 439 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 439 Q C 2.220 178.275 176.000 0.092 0.000 0.970 439 Q CA 1.224 57.117 55.803 0.151 0.000 0.855 439 Q CB -0.356 28.449 28.738 0.111 0.000 0.911 439 Q HN 0.318 nan 8.270 nan 0.000 0.438 440 R N 0.617 121.157 120.500 0.068 0.000 2.073 440 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 440 R C 2.092 178.419 176.300 0.045 0.000 1.134 440 R CA 1.220 57.326 56.100 0.010 0.000 0.952 440 R CB -0.041 30.246 30.300 -0.023 0.000 0.850 440 R HN 0.185 nan 8.270 nan 0.000 0.433 441 I N 1.160 121.803 120.570 0.122 0.000 2.226 441 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 441 I C 2.380 178.578 176.117 0.135 0.000 1.100 441 I CA 0.844 62.238 61.300 0.157 0.000 1.374 441 I CB -1.120 36.993 38.000 0.188 0.000 1.057 441 I HN 0.298 nan 8.210 nan 0.000 0.413 442 L N 1.254 122.563 121.223 0.143 0.000 1.989 442 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 442 L C 2.793 179.706 176.870 0.070 0.000 1.071 442 L CA 1.904 56.811 54.840 0.112 0.000 0.749 442 L CB -0.762 41.364 42.059 0.111 0.000 0.890 442 L HN 0.109 nan 8.230 nan 0.000 0.431 443 R N -0.939 119.589 120.500 0.046 0.000 2.096 443 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 443 R C 2.286 178.587 176.300 0.002 0.000 1.127 443 R CA 1.842 57.950 56.100 0.012 0.000 0.968 443 R CB -0.444 29.848 30.300 -0.013 0.000 0.861 443 R HN 0.460 nan 8.270 nan 0.000 0.440 444 L N 0.986 122.211 121.223 0.003 0.000 2.005 444 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 444 L C 1.954 178.839 176.870 0.024 0.000 1.072 444 L CA 1.692 56.529 54.840 -0.006 0.000 0.744 444 L CB -0.543 41.522 42.059 0.009 0.000 0.895 444 L HN 0.217 nan 8.230 nan 0.000 0.433 445 L N -0.510 120.754 121.223 0.068 0.000 2.079 445 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 445 L C 2.567 179.497 176.870 0.101 0.000 1.081 445 L CA 1.564 56.467 54.840 0.104 0.000 0.752 445 L CB -0.649 41.488 42.059 0.129 0.000 0.896 445 L HN 0.392 nan 8.230 nan 0.000 0.433 446 E N -0.151 120.095 120.200 0.077 0.000 2.106 446 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 446 E C 1.878 178.527 176.600 0.082 0.000 0.984 446 E CA 0.899 57.345 56.400 0.076 0.000 0.806 446 E CB -0.064 29.665 29.700 0.048 0.000 0.750 446 E HN 0.474 nan 8.360 nan 0.000 0.458 447 N N 0.659 119.386 118.700 0.046 0.000 2.188 447 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 447 N C 1.889 177.436 175.510 0.061 0.000 1.018 447 N CA 0.773 53.849 53.050 0.044 0.000 0.858 447 N CB -0.069 38.409 38.487 -0.015 0.000 0.989 447 N HN 0.172 nan 8.380 nan 0.000 0.426 448 L N 0.802 122.034 121.223 0.015 0.000 2.109 448 L HA -0.080 4.259 4.340 -0.000 0.000 0.207 448 L C 2.581 179.516 176.870 0.109 0.000 1.086 448 L CA 0.796 55.618 54.840 -0.030 0.000 0.760 448 L CB -0.418 41.481 42.059 -0.266 0.000 0.910 448 L HN 0.206 nan 8.230 nan 0.000 0.437 449 Q N -0.023 119.877 119.800 0.166 0.000 2.050 449 Q HA -0.302 4.038 4.340 -0.000 0.000 0.202 449 Q C 2.223 178.327 176.000 0.173 0.000 0.980 449 Q CA 2.169 58.104 55.803 0.220 0.000 0.840 449 Q CB -0.117 28.734 28.738 0.188 0.000 0.898 449 Q HN 0.556 nan 8.270 nan 0.000 0.424 450 H N -0.901 118.210 119.070 0.068 0.000 2.321 450 H HA -0.168 4.388 4.556 -0.000 0.000 0.300 450 H C 1.960 177.284 175.328 -0.006 0.000 1.087 450 H CA 2.333 58.398 56.048 0.028 0.000 1.319 450 H CB -0.353 29.415 29.762 0.009 0.000 1.379 450 H HN 0.484 nan 8.280 nan 0.000 0.501 451 H N -1.203 117.757 119.070 -0.183 0.000 2.319 451 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 451 H C 1.273 176.329 175.328 -0.454 0.000 1.092 451 H CA 2.319 58.136 56.048 -0.385 0.000 1.302 451 H CB -0.181 29.302 29.762 -0.465 0.000 1.373 451 H HN 0.453 nan 8.280 nan 0.000 0.497 452 Y N -0.906 119.391 120.300 -0.004 0.000 2.517 452 Y HA 0.186 4.736 4.550 -0.000 0.000 0.281 452 Y C 2.059 177.952 175.900 -0.011 0.000 1.125 452 Y CA 0.541 58.648 58.100 0.011 0.000 1.283 452 Y CB 0.185 38.703 38.460 0.095 0.000 1.042 452 Y HN 0.428 nan 8.280 nan 0.000 0.547 453 G N 1.136 109.982 108.800 0.077 0.000 2.258 453 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.274 453 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.274 453 G C -0.152 174.815 174.900 0.113 0.000 1.021 453 G CA 0.343 45.471 45.100 0.048 0.000 0.798 453 G HN 0.432 nan 8.290 nan 0.000 0.507 454 E N -0.917 119.400 120.200 0.196 0.000 2.179 454 E HA 0.374 4.724 4.350 -0.000 0.000 0.275 454 E C 0.953 177.631 176.600 0.130 0.000 0.945 454 E CA -0.482 56.022 56.400 0.173 0.000 0.792 454 E CB 1.352 31.194 29.700 0.236 0.000 1.125 454 E HN 0.343 nan 8.360 nan 0.000 0.397 455 E N 3.587 123.824 120.200 0.061 0.000 2.204 455 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 455 E C 1.921 178.495 176.600 -0.044 0.000 0.990 455 E CA 0.914 57.328 56.400 0.023 0.000 0.821 455 E CB 0.183 29.892 29.700 0.016 0.000 0.750 455 E HN 0.438 nan 8.360 nan 0.000 0.477 456 R N -0.435 119.996 120.500 -0.114 0.000 2.133 456 R HA -0.206 4.133 4.340 -0.000 0.000 0.247 456 R C 0.831 176.850 176.300 -0.468 0.000 1.151 456 R CA 1.758 57.655 56.100 -0.339 0.000 0.971 456 R CB -0.246 29.773 30.300 -0.468 0.000 0.866 456 R HN 0.294 nan 8.270 nan 0.000 0.447 457 Y N 1.231 121.520 120.300 -0.018 0.000 2.532 457 Y HA 0.159 4.709 4.550 -0.000 0.000 0.283 457 Y C 0.109 176.019 175.900 0.017 0.000 1.181 457 Y CA -0.417 57.683 58.100 0.001 0.000 1.256 457 Y CB -0.037 38.446 38.460 0.039 0.000 1.112 457 Y HN 0.058 nan 8.280 nan 0.000 0.521 458 R N 1.015 121.559 120.500 0.074 0.000 2.489 458 R HA 0.195 4.535 4.340 -0.000 0.000 0.287 458 R C -2.968 173.363 176.300 0.051 0.000 1.053 458 R CA -1.621 54.517 56.100 0.064 0.000 1.036 458 R CB -0.092 30.227 30.300 0.031 0.000 0.966 458 R HN -0.027 nan 8.270 nan 0.000 0.432 459 P HA -0.013 nan 4.420 nan 0.000 0.267 459 P C -0.001 177.318 177.300 0.031 0.000 1.205 459 P CA -0.486 62.648 63.100 0.056 0.000 0.765 459 P CB 0.456 32.193 31.700 0.060 0.000 0.828 460 C N 1.199 120.513 119.300 0.024 0.000 2.580 460 C HA 0.312 4.772 4.460 -0.000 0.000 0.371 460 C C 2.296 177.288 174.990 0.003 0.000 1.308 460 C CA -0.013 59.011 59.018 0.009 0.000 2.428 460 C CB 0.082 27.826 27.740 0.006 0.000 2.529 460 C HN 0.580 nan 8.230 nan 0.000 0.657 461 S N 0.030 115.729 115.700 -0.001 0.000 2.359 461 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 461 S C 1.655 176.236 174.600 -0.032 0.000 1.035 461 S CA 1.941 60.135 58.200 -0.010 0.000 1.018 461 S CB -0.602 62.595 63.200 -0.005 0.000 0.876 461 S HN 0.854 nan 8.310 nan 0.000 0.448 462 L N 1.352 122.550 121.223 -0.043 0.000 2.131 462 L HA 0.029 4.369 4.340 -0.000 0.000 0.210 462 L C 2.050 178.832 176.870 -0.147 0.000 1.092 462 L CA 1.444 56.231 54.840 -0.089 0.000 0.759 462 L CB -0.760 41.249 42.059 -0.082 0.000 0.903 462 L HN 0.421 nan 8.230 nan 0.000 0.435 463 L N -0.508 120.658 121.223 -0.095 0.000 2.046 463 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 463 L C 2.633 179.471 176.870 -0.054 0.000 1.077 463 L CA 1.636 56.429 54.840 -0.078 0.000 0.747 463 L CB -0.582 41.498 42.059 0.035 0.000 0.896 463 L HN 0.219 nan 8.230 nan 0.000 0.432 464 R N -0.903 119.579 120.500 -0.030 0.000 2.096 464 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 464 R C 2.310 178.580 176.300 -0.050 0.000 1.127 464 R CA 1.656 57.744 56.100 -0.019 0.000 0.968 464 R CB -0.473 29.822 30.300 -0.009 0.000 0.861 464 R HN 0.585 nan 8.270 nan 0.000 0.440 465 Q N 0.898 120.648 119.800 -0.083 0.000 2.050 465 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 465 Q C 2.024 177.933 176.000 -0.152 0.000 0.980 465 Q CA 1.449 57.190 55.803 -0.103 0.000 0.840 465 Q CB 0.127 28.802 28.738 -0.104 0.000 0.898 465 Q HN 0.297 nan 8.270 nan 0.000 0.424 466 R N -0.415 119.924 120.500 -0.267 0.000 2.115 466 R HA -0.032 4.308 4.340 -0.000 0.000 0.226 466 R C 2.244 178.428 176.300 -0.194 0.000 1.100 466 R CA 0.825 56.666 56.100 -0.432 0.000 0.980 466 R CB -0.196 29.438 30.300 -1.110 0.000 0.875 466 R HN 0.257 nan 8.270 nan 0.000 0.445 467 A N 1.287 124.079 122.820 -0.047 0.000 1.930 467 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 467 A C 2.139 179.748 177.584 0.041 0.000 1.175 467 A CA 1.034 53.130 52.037 0.099 0.000 0.627 467 A CB -0.407 18.659 19.000 0.109 0.000 0.815 467 A HN 0.158 nan 8.150 nan 0.000 0.443 468 L N -0.786 120.429 121.223 -0.014 0.000 2.093 468 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 468 L C 2.476 179.305 176.870 -0.068 0.000 1.085 468 L CA 0.821 55.641 54.840 -0.034 0.000 0.755 468 L CB -0.407 41.629 42.059 -0.039 0.000 0.904 468 L HN 0.356 nan 8.230 nan 0.000 0.435 469 L N -0.538 120.633 121.223 -0.085 0.000 2.141 469 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 469 L C 2.504 179.236 176.870 -0.230 0.000 1.094 469 L CA 1.133 55.891 54.840 -0.137 0.000 0.763 469 L CB -0.294 41.704 42.059 -0.101 0.000 0.908 469 L HN 0.313 nan 8.230 nan 0.000 0.437 470 E N -0.251 119.918 120.200 -0.053 0.000 2.274 470 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 470 E C 1.785 178.358 176.600 -0.045 0.000 0.996 470 E CA 0.906 57.344 56.400 0.064 0.000 0.840 470 E CB 0.209 30.126 29.700 0.361 0.000 0.772 470 E HN 0.457 nan 8.360 nan 0.000 0.491 471 S N -1.005 114.655 115.700 -0.066 0.000 2.786 471 S HA 0.127 4.597 4.470 -0.000 0.000 0.223 471 S C 0.963 175.505 174.600 -0.097 0.000 0.956 471 S CA 0.007 58.184 58.200 -0.040 0.000 0.961 471 S CB 0.702 63.894 63.200 -0.014 0.000 0.784 471 S HN 0.260 nan 8.310 nan 0.000 0.519 472 G N 0.065 108.709 108.800 -0.259 0.000 2.968 472 G HA2 0.546 4.506 3.960 -0.000 0.000 0.206 472 G HA3 0.546 4.506 3.960 -0.000 0.000 0.206 472 G C -0.242 174.587 174.900 -0.120 0.000 2.051 472 G CA -0.640 44.324 45.100 -0.226 0.000 0.773 472 G HN 0.463 nan 8.290 nan 0.000 0.741 473 Y N 0.000 120.320 120.300 0.033 0.000 2.660 473 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 473 Y CA 0.000 58.119 58.100 0.031 0.000 1.940 473 Y CB 0.000 38.483 38.460 0.038 0.000 1.050 473 Y HN 0.000 nan 8.280 nan 0.000 0.758